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sf-tags.tsv
We can make this file beautiful and searchable if this error is corrected: It looks like row 3 should actually have 6 columns, instead of 13 in line 2.
294 lines (294 loc) · 31.2 KB
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sf-tags.tsv
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_atom_sites.entry_id 0.015 1 1.00 1 29 r2ynosf {word}
_atom_sites.fract_transf_matrix[1][1] 0.015 1 1.00 1 29 r2ynosf {0.005551 - 1}
_atom_sites.fract_transf_matrix[1][2] 0.015 1 1.00 1 22 r2ynosf 0.000000 1 r4b8csf -0.003938 1 r4aw6sf -0.005135 1 r4ayxsf 0.003205 1 r4aytsf 0.003297 1 r4aywsf 0.005677 1 r2xqzsf 0.007914 1 r4az4sf 0.010568
_atom_sites.fract_transf_matrix[1][3] 0.015 1 1.00 1 20 r4b5osf 0.000000 1 r4b8csf -0.000005 1 r4aw6sf -0.002073 1 r2ynosf 0.001452 1 r4as1sf 0.002419 1 r1h8dsf 0.002585 1 r4as5sf 0.005075 1 r4b32sf 0.014036 1 r4b33sf 0.014065 1 r4b2isf 0.014169
_atom_sites.fract_transf_matrix[2][1] 0.015 1 1.00 1 29 r2ynosf 0.000000
_atom_sites.fract_transf_matrix[2][2] 0.015 1 1.00 1 29 r2ynosf {0.00641 - 1}
_atom_sites.fract_transf_matrix[2][3] 0.015 1 1.00 1 27 r2ynosf 0.000000 1 r4b8csf -0.000073 1 r4aw6sf -0.002093
_atom_sites.fract_transf_matrix[3][1] 0.015 1 1.00 1 29 r2ynosf 0.000000
_atom_sites.fract_transf_matrix[3][2] 0.015 1 1.00 1 29 r2ynosf 0.000000
_atom_sites.fract_transf_matrix[3][3] 0.015 1 1.00 1 29 r2ynosf {0.001852 - 1}
_atom_sites.fract_transf_vector[1] 0.015 1 1.00 1 29 r2ynosf 0.00000
_atom_sites.fract_transf_vector[2] 0.015 1 1.00 1 29 r2ynosf 0.00000
_atom_sites.fract_transf_vector[3] 0.015 1 1.00 1 29 r2ynosf 0.00000
_audit.creation_date 82.819 1 1.32 5 214567 r8te6sf {word} 1 r1vpfsf {19 - 19}
_audit.creation_method 0.002 1 1.00 1 2 r4ttjsf {text} 1 r5wfnsf {line}
_audit.revision_id 89.553 1 1.32 5 173666 r8te6sf 1_0 44187 r8inhsf 1_1 8880 r3zdwsf 4_0 2114 r8iglsf 1_2 1693 r7tqkAsf 1 113 r4b0psf 1_3 33 r5m3tsf 2_0 17 r5fw0sf 2 8 rxxxxsf 4_1 3 r2bypsf 5_0 3 r2vpqsf 3_0 3 r4b0rsf 3 1 r2ypusf 2_1 1 r2hhbsf 1_4 1 r3sn5sf 1-2 1 r1qm6sf 4_2 1 r4pwssf 1-1
_audit.update_record 88.951 1 1.32 5 4421 r6dmlsf {text} 224368 r8te6sf {line} 726 r8inhsf {word}
_cell.Z_PDB 0.002 1 1.00 1 4 r4yawsf 8
_cell.angle_alpha 99.229 1 1.00 1 194304 r8te6sf {58.8 - 124.813}
_cell.angle_alpha_esd 0.001 1 1.00 1 1 r8b7xAsf 0.042 1 r7f1lAsf 90.000
_cell.angle_beta 99.229 1 1.00 1 194304 r8te6sf {45.399 - 161.238}
_cell.angle_beta_esd 0.001 1 1.00 1 1 r8b7xAsf 0.041 1 r7f1lAsf 109.103
_cell.angle_gamma 99.229 1 1.00 1 194304 r8te6sf {57.764 - 123.614}
_cell.angle_gamma_esd 0.001 1 1.00 1 1 r8b7xAsf 0.030 1 r7f1lAsf 90.000
_cell.details 0.001 1 1.00 1 1 r7q3vsf The data have been expanded to P1 space group (see https://doi.org/10.1107/S2052252521011891). This is recognized as twinning by Xtriage.
_cell.entry_id 95.205 1 1.00 1 185862 r8te6sf {word} 562 r8e90sf {1 - 7e+99}
_cell.formula_units_Z 0.018 1 1.00 1 10 r4b8csf 4 6 r4b4csf 1 4 r4b33sf 2 4 r2ynosf 8 3 r4b13sf 12 2 r4b0fsf 56 2 r4ayxsf 6 1 r4as3sf 16 1 r2bjksf 18 1 r4asusf 36 1 r2c0wsf 5 1 r1h1ksf 52
_cell.length_a 99.229 1 1.00 1 194304 r8te6sf {1 - 1009.8}
_cell.length_a_esd 0.005 1 1.00 1 1 r8baxAsf 0.007 1 r7mm1Asf 0.008 1 r8b7xAsf 0.010 1 r7rinAsf 0.017 1 r8ccaAsf 0.019 1 r7yloBsf 0.060 1 r7zrpAsf 0.177 1 r8b2tAsf 0.768 1 r7f1lAsf 35.170
_cell.length_b 99.229 1 1.00 1 194304 r8te6sf {1 - 1198.07}
_cell.length_b_esd 0.005 1 1.00 1 1 r7mm1Asf 0.008 1 r8b7xAsf 0.009 1 r8baxAsf 0.015 1 r7rinAsf 0.017 1 r8ccaAsf 0.020 1 r7yloBsf 0.060 1 r7zrpAsf 0.125 1 r8b2tAsf 1.117 1 r7f1lAsf 63.600
_cell.length_c 99.229 1 1.00 1 194304 r8te6sf {1 - 1933.3}
_cell.length_c_esd 0.005 1 1.00 1 1 r8ccaAsf 0.021 1 r7yloBsf 0.023 1 r8b7xAsf 0.032 1 r8baxAsf 0.040 1 r7rinAsf 0.042 1 r7mm1Asf 0.057 1 r7zrpAsf 0.267 1 r8b2tAsf 3.539 1 r7f1lAsf 39.170
_cell.volume 0.222 1 1.00 1 434 r8gh5sf {86842.8 - 7.22578e+06}
_database_2.database_code 0.015 1 1.00 1 28 r2ynosf PDB 1 r2xqzsf 2XQZ 1 r4ar4sf 4AR4
_database_2.database_id 0.015 1 1.00 1 30 r2ynosf {word}
_diffrn.ambient_temp 0.138 1 1.01 3 163 r4frysf ? 58 r7ux8sf 100 6 r3nouHsf 120 6 r3nouIsf 140 6 r6p58sf 150 6 r3nouBsf 170 6 r3nouEsf 173 6 r7qacsf 293 5 r4artsf 110 3 r1jjvAsf 100.0 3 r3nouAsf 130 3 r3nouPsf 160 3 r3nouMsf 180 1 r4j5oAsf 296
_diffrn.crystal_id 40.774 1 1.00 16 1913 r6vzxAsf {word} 78218 r7g9jsf {1 - 676}
_diffrn.crystal_treatment 0.123 1 1.02 3 1 r7ux8sf {text} 77 r7ux7sf {line} 166 r7l3mBsf {word}
_diffrn.details 14.779 1 1.00 16 4253 r8dahAsf {text} 24677 r7g9jsf {line} 55 r6wf4sf {word}
_diffrn.id 44.355 1 1.00 16 86810 r7g9jsf 1 151 r8b2tAsf 2 86 r8b2tAsf 3 54 r8b2tAsf 4 8 r8b2tAsf 5 5 r8b2tAsf 7 5 r8b2tAsf 6 4 r8b2tAsf 8 3 r1jjvAsf 1jjv 3 r8b2tAsf 9 3 r8b2tAsf 12 3 r8b2tAsf 11 3 r8b2tAsf 10 2 r8d5kAsf 13 1 r8d5kAsf 16 1 r8d5kAsf 15 1 r8d5kAsf 14
_diffrn_measurement.details 0.070 1 1.28 16 175 r8piiAsf {line}
_diffrn_measurement.diffrn_id 0.070 1 1.28 16 137 r8piiAsf 1 7 r8b2tAsf 2 4 r8b2tAsf 3 3 r8b2tAsf 4 3 r8b2tAsf 5 3 r8b2tAsf 6 3 r8b2tAsf 7 3 r8b2tAsf 8 2 r8b2tAsf 10 2 r8b2tAsf 11 2 r8b2tAsf 12 2 r8b2tAsf 9 1 r8d5kAsf 13 1 r8d5kAsf 14 1 r8d5kAsf 15 1 r8d5kAsf 16
_diffrn_orient_matrix.UB[1][1] 0.027 1 1.00 1 53 r8pe9Esf {-0.0266609 - 0.0269074}
_diffrn_orient_matrix.UB[1][2] 0.027 1 1.00 1 53 r8pe9Esf {-0.0210301 - 0.0255356}
_diffrn_orient_matrix.UB[1][3] 0.027 1 1.00 1 53 r8pe9Esf {-0.0124583 - 0.0186808}
_diffrn_orient_matrix.UB[2][1] 0.027 1 1.00 1 53 r8pe9Esf {-0.016017 - 0.0250249}
_diffrn_orient_matrix.UB[2][2] 0.027 1 1.00 1 53 r8pe9Esf {-0.0278054 - 0.0170909}
_diffrn_orient_matrix.UB[2][3] 0.027 1 1.00 1 53 r8pe9Esf {-0.0157157 - 0.0177381}
_diffrn_orient_matrix.UB[3][1] 0.027 1 1.00 1 53 r8pe9Esf {-0.0232996 - 0.0264681}
_diffrn_orient_matrix.UB[3][2] 0.027 1 1.00 1 53 r8pe9Esf {-0.0168333 - 0.0152251}
_diffrn_orient_matrix.UB[3][3] 0.027 1 1.00 1 53 r8pe9Esf {-0.0192692 - 0.0102886}
_diffrn_orient_matrix.diffrn_id 0.027 1 1.00 1 53 r8pe9Esf 1
_diffrn_radiation.diffrn_id 0.626 1 1.03 16 1221 r8piiAsf 1 9 r8b2tAsf 2 6 r8b2tAsf 3 3 r8b2tAsf 6 3 r8b2tAsf 7 2 r8b2tAsf 10 2 r8b2tAsf 11 2 r8b2tAsf 12 2 r8b2tAsf 4 2 r8b2tAsf 5 2 r8b2tAsf 8 2 r8b2tAsf 9 1 r8d5kAsf 13 1 r8d5kAsf 14 1 r8d5kAsf 15 1 r8d5kAsf 16
_diffrn_radiation.id 0.127 1 1.00 1 249 r4ia5sf 1
_diffrn_radiation.pdbx_wavelength 0.128 1 1.01 3 4 phasing_set {word} 249 r4ia5sf {0.835 - 1.7587}
_diffrn_radiation.wavelength_id 0.627 1 1.03 16 1252 r8piiAsf 1 4 r7n7vBsf 2 3 r7qacBsf 3 1 r7qacEsf 6 1 r7qacEsf 7
_diffrn_radiation_wavelength.id 93.407 1 1.01 6 182878 r8te6sf 1 1321 r7ykbAsf 2 919 r7ux7Csf 3 92 r7qacCsf 4 6 r7qacDsf 5 2 r2q3tsf 0.97916, 2 r7qacEsf 6 1 r3qbaAsf - 1 r1o59sf 0.918370, 1 r7qacEsf 7
_diffrn_radiation_wavelength.wavelength 89.731 1 1.01 6 9 r8funsf {line} 64 r7tx5Asf {word} 177946 r8te6sf {0 - 1.86358e+09}
_diffrn_radiation_wavelength.wt 0.028 1 1.31 3 70 r7wnpsf 1.0 1 r7qacEsf 0.5
_diffrn_refln.F_meas_au 0.001 4344 13090.00 21836 26180 r6y14Asf {5.98 - 1294}
_diffrn_refln.F_meas_sigma_au 0.001 4344 13090.00 21836 26180 r6y14Asf {2.24 - 290.4}
_diffrn_refln.crystal_id 0.002 4344 145224.33 397750 435673 r7atgAsf 1
_diffrn_refln.diffrn_id 0.556 4698 393364.87 7349644 424439178 r8piiAsf 1 3140063 r8b2tAsf 2 469583 r8b2tAsf 3 70058 r8b2tAsf 8 48056 r8b2tAsf 7 35303 r8b2tAsf 12 35121 r8b2tAsf 9 34929 r8b2tAsf 11 28619 r8b2tAsf 6 27461 r8b2tAsf 4 21064 r8b2tAsf 10 18158 r8b2tAsf 5 6732 r8d5kAsf 16 8 r8d5kAsf 15 4 r8d5kAsf 14 3 r8d5kAsf 13
_diffrn_refln.id 0.556 4698 393364.87 7349644 428374340 r8piiAsf {1 - 7.34964e+06}
_diffrn_refln.index_h 0.558 4344 392683.16 7349644 428810013 r8piiAsf {-164 - 168}
_diffrn_refln.index_k 0.558 4344 392683.16 7349644 428810013 r8piiAsf {-128 - 5.40029e+08}
_diffrn_refln.index_l 0.558 4344 392683.16 7349644 428810013 r8piiAsf {-434 - 434}
_diffrn_refln.intensity_meas 0.001 21836 209793.00 397750 419586 r7atgAsf {-3749.1 - 999999}
_diffrn_refln.intensity_net 0.556 4698 393364.87 7349644 428374339 r8piiAsf {-1.243e+07 - 8.543e+08}
_diffrn_refln.intensity_sigma 0.557 4698 393028.35 7349644 428793925 r8piiAsf {-5.925e+07 - 1.673e+08}
_diffrn_refln.pdbx_F_minus 0.001 4336 4336.00 4336 4336 r6y13Asf {12.25 - 1294}
_diffrn_refln.pdbx_F_minus_sigma 0.001 4336 4336.00 4336 4336 r6y13Asf {6.56 - 290.4}
_diffrn_refln.pdbx_F_plus 0.001 4292 4292.00 4292 4292 r6y13Asf {12.25 - 1294}
_diffrn_refln.pdbx_F_plus_sigma 0.001 4292 4292.00 4292 4292 r6y13Asf {6.56 - 290.4}
_diffrn_refln.pdbx_anom_difference 0.001 4284 4284.00 4284 4284 r6y13Asf {-122.7 - 196.1}
_diffrn_refln.pdbx_anom_difference_sigma 0.001 4284 4284.00 4284 4284 r6y13Asf {0 - 118}
_diffrn_refln.pdbx_detector_x 0.027 9561 155316.32 1161747 8231765 r8pe9Esf {4.1 - 4144.7}
_diffrn_refln.pdbx_detector_y 0.027 9561 155316.32 1161747 8231765 r8pe9Esf {3.8 - 4366.7}
_diffrn_refln.pdbx_image_id 0.070 9561 391030.31 2414578 53571153 r8piiAsf {1 - 9000}
_diffrn_refln.pdbx_r_free_flag 0.001 4344 18961.50 33579 5786 r6y14Asf 1 1867 r6y14Asf 0 1767 r6y14Asf 10 1742 r6y14Asf 4 1717 r6y14Asf 9 1717 r6y14Asf 3 1702 r6y14Asf 11 1693 r6y14Asf 2 1684 r6y14Asf 19 1680 r6y14Asf 18 1679 r6y14Asf 13 1676 r6y14Asf 6 1673 r6y14Asf 15 1671 r6y14Asf 12 1670 r6y14Asf 16 1648 r6y14Asf 14 1646 r6y14Asf 5 1640 r6y14Asf 7 1636 r6y14Asf 8 1629 r6y14Asf 17
_diffrn_refln.pdbx_scale_value 0.027 9561 155316.32 1161747 8231765 r8pe9Esf {0.190459 - 135.306}
_diffrn_refln.pdbx_scan_angle 0.062 9561 394541.98 2414578 48134121 r8piiAsf {-630.65 - 3599.5}
_diffrn_refln.scale_group_code 0.488 4344 392920.27 7349644 375238860 r7g21Asf 1
_diffrn_refln.standard_code 0.483 11908 395602.95 7349644 374240386 r7g21Asf 1
_diffrn_refln.status 0.002 4344 145224.33 397750 415670 r7atgAsf o 11743 r6y14Asf x 8260 r7atgAsf f
_diffrn_refln.wavelength_id 0.486 4344 393698.17 7349644 372361000 r7g21Asf 1 1503678 r7n7vBsf 2 930983 r7qacBsf 3 2509 r7qacEsf 6 2489 r7qacEsf 7
_diffrn_reflns.details 0.001 1 1.00 1 1 r1hgvsf {text}
_diffrn_reflns.diffrn_id 29.673 1 1.00 1 58091 r8p7jsf 1 9 r7qacAsf 2 1 r7qacBsf 3 1 r7qacCsf 4 1 r7qacDsf 5 1 r7qacEsf 6
_diffrn_reflns.limit_h_max 26.115 1 1.00 1 51136 r8p7jsf {0 - 224}
_diffrn_reflns.limit_h_min 26.115 1 1.00 1 51136 r8p7jsf {-232 - 52}
_diffrn_reflns.limit_k_max 26.115 1 1.00 1 51136 r8p7jsf {0 - 247}
_diffrn_reflns.limit_k_min 26.115 1 1.00 1 51136 r8p7jsf {-195 - 30}
_diffrn_reflns.limit_l_max 26.115 1 1.00 1 51136 r8p7jsf {-33 - 426}
_diffrn_reflns.limit_l_min 26.115 1 1.00 1 51136 r8p7jsf {-425 - 84}
_diffrn_reflns.number 29.493 1 1.00 1 57752 r8p7jsf {209 - 9.16658e+06}
_diffrn_reflns.pdbx_d_res_high 29.671 1 1.00 1 1 r2o69sf {word} 58099 r8p7jsf {0.317 - 10.273}
_diffrn_reflns.pdbx_d_res_low 29.656 1 1.00 1 3 r2o69sf {word} 58068 r8p7jsf {4.998 - 632.23}
_diffrn_reflns.pdbx_number_obs 26.278 1 1.00 1 51455 r8p7jsf {0 - 9.16658e+06}
_diffrn_scale.group_code 0.001 1 1.00 1 1 r5n1uAsf 1
_diffrn_scale_group.I_net 0.001 1 1.00 1 1 r4yokAsf 1.0 1 r8cx4Asf 1.00
_diffrn_scale_group.code 0.019 1 1.00 1 37 r8e4dCsf 1
_diffrn_standard_refln.code 0.011 1 1.00 1 22 r8e4dCsf 1
_diffrn_standard_refln.diffrn_id 0.011 1 1.00 1 20 r8e4dCsf 1 1 r6wfvBsf 2 1 r6wfvCsf 3
_diffrn_standard_refln.index_h 0.010 1 1.00 1 17 r8dapEsf 0 1 r8cx4Asf -37 1 r8e4dCsf 1
_diffrn_standard_refln.index_k 0.010 1 1.00 1 18 r8dapEsf 0 1 r8e4dCsf 1
_diffrn_standard_refln.index_l 0.010 1 1.00 1 14 r8dapEsf 3 4 r8e4dCsf 1 1 r5s9lAsf -4
_entry.id 95.610 1 1.00 1 186649 r8te6sf {word} 567 r8e90sf {1 - 7e+99}
_exptl_crystal.description 0.151 1 1.00 1 218 r8pe9sf xxxx 53 r8pe9Esf crystal 1 4 r7u3pAsf 7u3p 4 r7u3qAsf 7u3q 4 r7u42Asf 7u42 4 r7u43Asf 7u43 4 r7u44Asf 7u44 4 r7u45Asf 7u45
_exptl_crystal.id 95.017 1 1.00 2 186034 r8te6sf 1 15 r7tqeAsf 2 2 r7qacBsf 3 1 r7qacCsf 4 1 r7qacDsf 5 1 r7qacEsf 6 1 r6vzxAsf B04-1 1 r6vzxBsf B04-2
_pdbx_audit_conform.dict_location 0.217 1 1.00 1 259 r8pe9Csf http://mmcif.wwpdb.org/dictionaries/ascii/mmcif_pdbx_v50.dic 166 r8piisf https://mmcif.wwpdb.org/dictionaries/ascii/mmcif_pdbx_v50.dic
_pdbx_audit_conform.dict_name 0.217 1 1.00 1 425 r8piisf mmcif_pdbx.dic
_pdbx_audit_conform.dict_version 0.217 1 1.00 1 425 r8piisf 5.339
_pdbx_powder_data.pd_calc_intensity_total 0.021 4534 7143.88 30432 300043 r6vc1sf {-748.17 - 88509}
_pdbx_powder_data.pd_meas_2theta_scan 0.008 5000 8114.00 30432 129824 r6vc1sf {0.515 - 55.7766}
_pdbx_powder_data.pd_meas_intensity_total 0.023 4800 8985.02 30432 79824 r6vc1sf {word} 324502 r4idwsf {2 - 71510}
_pdbx_powder_data.pd_proc_intensity_bkg_calc 0.023 4359 7534.20 30432 1 r4idwHsf {word} 339038 r6vc1sf {-8451.9 - 144532}
_pdbx_powder_data.pd_proc_intensity_total 0.002 4359 8122.25 10988 32489 r2o2wsf {0 - 15540}
_pdbx_powder_data.pd_proc_ls_weight 0.023 4359 7562.98 30432 5000 r2hs9Bsf {word} 335334 r6vc1sf {0 - 124237}
_pdbx_powder_data.unknown 0.001 4532 4532.00 4532 4532 r2hs9Bsf {-157 - 13069}
_pdbx_refln_signal_binning.ordinal 0.029 7 7.00 7 56 r8pe9Csf 1 56 r8pe9Csf 2 56 r8pe9Csf 3 56 r8pe9Csf 4 56 r8pe9Csf 5 56 r8pe9Csf 6 56 r8pe9Csf 7
_pdbx_refln_signal_binning.upper_threshold 0.029 7 7.00 7 392 r8pe9Csf {1.2 - 73.35}
_refln.A_calc 0.058 1878 15111.32 48118 1722691 r4fivsf {-31486.2 - 31711.3}
_refln.B_calc 0.058 1878 15111.32 48118 1722690 r4fivsf {-8793.66 - 23860.2}
_refln.F_calc 16.332 6 54289.67 2554728 1095 r2o69sf {word} 1736182589 r8pe9sf {-1759.79 - 1.19761e+07}
_refln.F_calc_au 11.227 389 52157.81 1824194 1146585189 r8pkysf {0 - 1.13451e+06}
_refln.F_meas 0.008 7248 37812.94 82997 605007 r8pe9sf {3.47843 - 8227.2}
_refln.F_meas_au 84.577 100 54828.86 9166584 1637 r2o69sf {word} 490436020 r1q3qsf {-1e+10 - 3.89024e+07}
_refln.F_meas_sigma 0.008 7248 37812.94 82997 605007 r8pe9sf {0.6 - 484.91}
_refln.F_meas_sigma_au 84.304 100 54916.50 9166584 5610 r4jecsf {word} 475565739 r1q16sf {-1e+10 - 8.56453e+06}
_refln.F_meas_sigma_uncorrected 0.001 217593 217593.00 217593 217593 r1reqsf {0 - 131.7}
_refln.F_meas_uncorrected 0.001 217593 217593.00 217593 217593 r1reqsf {0 - 3316.5}
_refln.F_squared_calc 0.028 1689 5691.85 39229 307360 r7qacsf {0 - 6.19862e+07}
_refln.F_squared_meas 0.081 1344 43002.57 353944 6837408 r4nagsf {-1228.85 - 1.28423e+08}
_refln.F_squared_sigma 0.059 1344 57358.98 353944 6653642 r4nagsf {0 - 1.29193e+07}
_refln.crystal_id 98.627 39 62195.37 9166584 52018609 r7tqeAsf 2 5002773 r4tohAsf 0 3421994 r4czwBsf 3 1500314 r7qacCsf 4 748418 r4u9oAsf 27 40237 r7qacDsf 5 37232 r4gmaHsf 6 23069 r3um7Asf 676 13164 r4gmaJsf 8 11511 r3s9kAsf a4 6160 r4gmaIsf 7 4584 r4gmaMsf 9 1 r3zqosf OF 1 r2w4qsf REFLECTIONS -936310882 r3p80sf 1
_refln.d_spacing 0.033 1683 6075.31 45271 388820 r7qacsf {0.00036 - 55.739}
_refln.diffrn_id 0.001 627576 627576.00 627576 627576 r4i79Asf 1
_refln.fiber_F_meas_au 0.001 2411 2411.00 2411 2411 r1ql1sf {21.3 - 4684.3}
_refln.fiber_coordinate 0.001 2411 2411.00 2411 2411 r1ql1sf {0.0025 - 0.315}
_refln.fiber_layer 0.001 2411 2411.00 2411 2411 r1ql1sf {0 - 23}
_refln.fom 23.572 147 52602.77 2215666 247 r2o69sf {word} -1866981328 r8pkysf {-9948.76 - 3795.06}
_refln.id 0.001 627576 627576.00 627576 627576 r4i79Asf {1 - 627576}
_refln.index_h 99.439 38 61928.44 9166584 10873 r1e6iAsf {word} -826515820 r3ppmsf {-232 - 3072}
_refln.index_k 99.439 38 61928.44 9166584 -826504947 r3ppmsf {-195 - 68783}
_refln.index_l 99.439 38 61928.44 9166584 -826504947 r3ppmsf {-8.11167e+06 - 3.12875e+06}
_refln.intensity_calc 0.008 1931 58512.62 447539 936202 r2o90sf {-405.8 - 3.40642e+06}
_refln.intensity_meas 36.980 38 62600.32 4328009 8447 r3us2sf {word} 237975679 r2aj7Csf {-9.26415e+09 - 1.31187e+11}
_refln.intensity_meas_unknown 0.001 16425 16425.00 16425 16425 r1j0wsf {-406.3 - 320772}
_refln.intensity_net 0.001 627576 627576.00 627576 627576 r4i79Asf {-883.1 - 244700}
_refln.intensity_sigma 36.980 38 62611.67 4328009 1603 r4v87sf {word} 238867649 r2ajisf {-186400 - 4.25327e+21}
_refln.intensity_sigma_unknown 0.001 16425 16425.00 16425 16425 r1j0wsf {-1 - 10261}
_refln.pdbx_DELFWT 21.698 389 52829.35 2003157 -2050406722 r8te6sf {-16188.7 - 1.04394e+06}
_refln.pdbx_DELPHWT 21.697 389 52826.41 2003157 -2050637082 r8te6sf {-360 - 360}
_refln.pdbx_FWT 23.296 389 59542.34 2102461 -1578883900 r8te6sf {-8088.01 - 8.77154e+06}
_refln.pdbx_F_calc_part_solvent 0.097 3103 29478.01 172479 5571344 r3atjsf {-31.72 - 177296}
_refln.pdbx_F_calc_with_solvent 1.240 466 66936.29 1317535 162521313 r8pi2sf {6.40642e-06 - 98660.8}
_refln.pdbx_F_minus 15.673 54 45010.69 1902429 1381378041 r8pm1sf {-470.621 - 901962}
_refln.pdbx_F_minus_sigma 15.672 54 45012.88 1902429 1381355183 r8pm1sf {-146.697 - 31400.6}
_refln.pdbx_F_plus 15.718 1 49485.97 1902592 1523079233 r8pm1sf {-279.686 - 4.2535e+20}
_refln.pdbx_F_plus_sigma 15.718 1 49488.21 1902592 1523098659 r8pm1sf {-416.232 - 58091.5}
_refln.pdbx_HLA 0.001 24912 24912.00 24912 24912 r3v4mCsf {-406.16 - 446.38}
_refln.pdbx_HLB 0.001 24912 24912.00 24912 1 r3v4mCsf {word} 24911 r3v4mCsf {-617.83 - 842.51}
_refln.pdbx_HLC 0.001 24912 24912.00 24912 24912 r3v4mCsf {-120.65 - 250.18}
_refln.pdbx_HLD 0.001 24912 24912.00 24912 24912 r3v4mCsf {-222.99 - 148.89}
_refln.pdbx_HL_A_iso 4.084 848 54863.78 1199317 49374 r3pplDsf {word} 438696294 r7g9jsf {-7969.26 - 9159.93}
_refln.pdbx_HL_B_iso 4.083 848 54867.63 1199317 1680 r3pohDsf {word} 438719861 r7g9jsf {-6089.79 - 7194.95}
_refln.pdbx_HL_C_iso 4.090 848 54780.29 1199317 438680585 r7g9jsf {-898.94 - 1094.45}
_refln.pdbx_HL_D_iso 4.058 848 54856.31 1199317 435888240 r7g9jsf {-1805.3 - 898.12}
_refln.pdbx_I_minus 17.084 1 46054.72 1902867 1540668559 r8pm1sf {-5.70949e+09 - 1.0908e+10}
_refln.pdbx_I_minus_sigma 17.084 1 46050.09 1902867 1540513732 r8pm1sf {-525.4 - 8.20565e+09}
_refln.pdbx_I_plus 17.120 1 50091.99 1902867 1679233873 r8pm1sf {-9.26415e+09 - 6.56766e+10}
_refln.pdbx_I_plus_sigma 17.120 1 50091.12 1902867 1679204698 r8pm1sf {-469.5 - 1.2426e+11}
_refln.pdbx_PHWT 22.992 389 62501.66 2102461 -1481017535 r8te6sf {-360 - 360}
_refln.pdbx_anom_difference 15.287 1 46342.09 1902168 1387204128 r8pm1sf {-80451.6 - 4.2535e+20}
_refln.pdbx_anom_difference_sigma 15.289 1 46336.35 1902168 1387171440 r8pm1sf {-855 - 5.52166e+06}
_refln.pdbx_fiber_F_meas_au 0.003 946 3496.80 6588 17484 r3pdmsf {-999 - 32187.1}
_refln.pdbx_fiber_coordinate 0.002 946 2724.00 4300 10896 r2xkmsf {0 - 100}
_refln.pdbx_fiber_layer 0.003 946 3496.80 6588 17484 r3pdmsf {0 - 72}
_refln.pdbx_fom_weighted_fmap 0.011 7813 41797.05 132161 877738 r4zysEsf {0 - 5211.04}
_refln.pdbx_gsas_i100_meas 0.024 1683 4212.19 8812 197973 r4idwsf {0 - 100}
_refln.pdbx_phase_calc_part_solvent 0.097 3103 29478.01 172479 5571344 r3atjsf {0 - 35112}
_refln.pdbx_phase_calc_with_solvent 1.240 466 66936.29 1317535 162521313 r8pi2sf {-180 - 180}
_refln.pdbx_r_free_flag 30.417 389 60704.87 2371763 -679385003 r8te6sf {-1 - 348}
_refln.pdbx_signal 0.068 974 24207.77 221227 3243841 r8pe9Csf {-0.28 - 73.35}
_refln.pdbx_signal_status 0.068 1018 24789.33 226330 3243841 r8pe9Csf m 70821 r8pe9Csf o 7108 r8pe9Csf u
_refln.phase_calc 27.465 6 53459.59 2554728 3083 r2w4qsf {word} -1419913660 r8pkysf {-1688.92 - 9500.5}
_refln.phase_meas 1.899 243 43246.71 651008 2963 r2o69sf {word} 160788301 r8szesf {-180 - 3070}
_refln.scale_group_code 98.294 39 61860.42 9166584 1521283 r4czxAsf 2 31468 r6wf4Bsf 3 16465 r4czwCsf 4 1 r1kh0sf 0 1 r3zqosf REFLECTIONS -980071766 r4v7vsf 1
_refln.standard_code 0.001 627576 627576.00 627576 627576 r4i79Asf 1
_refln.status 98.670 39 61689.12 9166584 479217600 r8te6sf x 462483679 r8te6sf f 17919724 r8pi2sf < 8753146 r8p6ksf h 205543 r8bqlsf - 95837 r7txbsf l 27842 r1w3bsf 1 1 r1w3bsf 0 -1934712355 r2wcmsf o
_refln.wavelength_id 98.701 39 62167.27 9166584 279059287 r7tqkAsf 2 164006532 r7l3mBsf 3 11546455 r7qacCsf 4 3104598 r4gi7Asf 0 321308 r7qacDsf 5 1 r3zqosf END 1 r2w4qsf OF -1327872263 r4v7uAsf 1
_refln.weight 0.034 6765 29457.76 117431 1944212 r4v2gsf {0 - 6.874}
_reflns.d_resolution_high 9.102 1 1.00 2 17823 r8pe9Csf {0.673 - 11.983}
_reflns.d_resolution_low 9.102 1 1.00 2 17823 r8pe9Csf {4.999 - 540.072}
_reflns.details 0.107 1 1.00 1 207 r8pe9Csf {text} 2 r4hnasf {line}
_reflns.entry_id 5.472 1 1.00 1 10692 r8pe9Csf {word} 23 r4e99sf {1 - 4e+99}
_reflns.limit_h_max 8.982 1 1.00 1 17588 r4przsf {0 - 240}
_reflns.limit_h_min 8.982 1 1.00 1 17588 r4przsf {-188 - 7}
_reflns.limit_k_max 8.982 1 1.00 1 17588 r4przsf {0 - 227}
_reflns.limit_k_min 8.982 1 1.00 1 17588 r4przsf {-121 - 8}
_reflns.limit_l_max 8.982 1 1.00 1 17588 r4przsf {0 - 493}
_reflns.limit_l_min 8.982 1 1.00 1 17588 r4przsf {-493 - 6}
_reflns.number_all 8.996 1 1.00 2 17617 r4przsf {147 - 3.5244e+06}
_reflns.number_obs 9.088 1 1.00 1 17796 r8pe9Csf {0 - 3.00194e+06}
_reflns.pdbx_CC_half 0.105 1 1.00 1 206 r8pe9Csf {0.892 - 1}
_reflns.pdbx_CC_half_anomalous 0.105 1 1.00 1 205 r8pe9Csf {-0.924 - 0.872}
_reflns.pdbx_Rmerge_I_obs 0.105 1 1.00 1 206 r8pe9Csf {0.0169 - 0.8708}
_reflns.pdbx_Rpim_I_all 0.105 1 1.00 1 206 r8pe9Csf {0.0141 - 0.374}
_reflns.pdbx_Rrim_I_all 0.105 1 1.00 1 206 r8pe9Csf {0.0239 - 0.9507}
_reflns.pdbx_absDiff_over_sigma_anomalous 0.105 1 1.00 1 206 r8pe9Csf {0.534 - 1.065}
_reflns.pdbx_aniso_B_tensor_eigenvalue_1 0.056 1 1.00 1 110 r8pe9Csf {0 - 591.6}
_reflns.pdbx_aniso_B_tensor_eigenvalue_2 0.056 1 1.00 1 110 r8pe9Csf {0 - 350.8}
_reflns.pdbx_aniso_B_tensor_eigenvalue_3 0.056 1 1.00 1 110 r8pe9Csf {0 - 767.6}
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1] 0.056 1 1.00 1 96 r8pe9Csf 1.0000 2 r7u3tAsf 0.5882 2 r7u3oAsf 0.7732 2 r8gm5Asf 0.9306 2 r8fnyAsf 0.9537 2 r8ar7Csf 0.9732 2 r8aassf 1 1 r7z21sf 0.89556 1 r8aa9sf 0.95076
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2] 0.056 1 1.00 1 100 r8pe9Csf 0.0000 3 r8aassf 0 2 r7u3oAsf 0.1408 2 r8fnyAsf 0.2448 2 r7u3tAsf 0.5022 1 r7z21sf -0
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3] 0.056 1 1.00 1 96 r8pe9Csf 0.0000 2 r7u3oAsf -0.6183 2 r8aassf 0 2 r8fnyAsf 0.1745 2 r8ar7Csf 0.2301 2 r8gm5Asf 0.3660 2 r7u3tAsf 0.6339 1 r8aa9sf -0.30994 1 r7z21sf -0.44494
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1] 0.056 1 1.00 1 100 r8pe9Csf 0.0000 3 r8aassf 0 2 r8fnyAsf -0.1540 2 r7u3tAsf -0.2954 2 r7u3oAsf -0.3453 1 r8aa9sf -0
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2] 0.056 1 1.00 1 100 r8pe9Csf 1.0000 4 r8aassf 1 2 r7u3tAsf 0.8631 2 r8fnyAsf 0.8963 2 r7u3oAsf 0.9113
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3] 0.056 1 1.00 1 100 r8pe9Csf 0.0000 3 r8aassf 0 2 r7u3oAsf -0.2242 2 r7u3tAsf -0.4097 2 r8fnyAsf -0.4159 1 r8aa9sf -0
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1] 0.056 1 1.00 1 96 r8pe9Csf 0.0000 2 r8ar7Csf -0.2301 2 r8fnyAsf -0.2583 2 r8gm5Asf -0.3660 2 r7u3tAsf -0.7528 2 r8aassf 0 2 r7u3oAsf 0.5319 1 r8aa9sf 0.30994 1 r7z21sf 0.44494
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2] 0.056 1 1.00 1 100 r8pe9Csf 0.0000 3 r8aassf 0 2 r7u3tAsf 0.0537 2 r8fnyAsf 0.3698 2 r7u3oAsf 0.3868 1 r7z21sf -0
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3] 0.056 1 1.00 1 96 r8pe9Csf 1.0000 2 r7u3tAsf 0.6560 2 r7u3oAsf 0.7532 2 r8fnyAsf 0.8925 2 r8gm5Asf 0.9306 2 r8ar7Csf 0.9732 2 r8aassf 1 1 r7z21sf 0.89556 1 r8aa9sf 0.95076
_reflns.pdbx_aniso_diffraction_limit_1 0.058 1 1.00 1 113 r8pe9Csf {1.453 - 10.206}
_reflns.pdbx_aniso_diffraction_limit_2 0.058 1 1.00 1 113 r8pe9Csf {1.275 - 11.034}
_reflns.pdbx_aniso_diffraction_limit_3 0.058 1 1.00 1 113 r8pe9Csf {1.336 - 10.888}
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1] 0.058 1 1.00 1 91 r8pe9Csf 1.00000 2 r7u45Asf 0.55254 2 r7u42Asf 0.59819 2 r8fnyAsf 0.75493 2 r7u3oAsf 0.80422 2 r7u3tAsf 0.81911 2 r7u43Asf 0.83579 2 r7u44Asf 0.86305 2 r8gm5Asf 0.89875 2 r8ar7Csf 0.94808 1 r8b02Csf 0.77012 1 r8b3xCsf 0.80498 1 r8gm4Dsf 0.95103 1 r8ab3Esf 0.99598
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2] 0.058 1 1.00 1 99 r8pe9Csf 0.00000 2 r7u3tAsf -0.47321 2 r7u44Asf -0.48152 2 r7u43Asf -0.50179 2 r7u3oAsf 0.14041 2 r8fnyAsf 0.39296 2 r7u45Asf 0.47103 2 r7u42Asf 0.51966
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3] 0.058 1 1.00 1 91 r8pe9Csf 0.00000 2 r7u43Asf -0.22284 2 r7u3tAsf -0.32422 2 r7u3oAsf -0.57740 2 r7u45Asf -0.68763 2 r7u44Asf 0.15293 2 r8ar7Csf 0.31799 2 r8gm5Asf 0.43852 2 r8fnyAsf 0.52506 2 r7u42Asf 0.60999 1 r8ab3Esf -0.09001 1 r8b3xCsf -0.59328 1 r8gm4Dsf 0.30898 1 r8b02Csf 0.63792
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1] 0.058 1 1.00 1 99 r8pe9Csf 0.00000 2 r8fnyAsf -0.14664 2 r7u3oAsf -0.32776 2 r7u42Asf -0.57515 2 r7u45Asf -0.76134 2 r7u43Asf 0.28166 2 r7u44Asf 0.39737 2 r7u3tAsf 0.55515
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2] 0.058 1 1.00 1 99 r8pe9Csf 1.00000 2 r7u3tAsf 0.51140 2 r7u45Asf 0.62092 2 r7u43Asf 0.74021 2 r7u42Asf 0.80848 2 r7u44Asf 0.83398 2 r8fnyAsf 0.88153 2 r7u3oAsf 0.91535
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3] 0.058 1 1.00 1 99 r8pe9Csf 0.00000 2 r7u42Asf -0.12477 2 r7u45Asf -0.18654 2 r7u3oAsf -0.23394 2 r8fnyAsf -0.44879 2 r7u43Asf -0.61052 2 r7u44Asf 0.38295 2 r7u3tAsf 0.65596
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1] 0.058 1 1.00 1 91 r8pe9Csf 0.00000 2 r7u3tAsf -0.14457 2 r7u44Asf -0.31187 2 r8ar7Csf -0.31799 2 r8gm5Asf -0.43852 2 r7u42Asf -0.55805 2 r8fnyAsf -0.63923 2 r7u45Asf 0.33908 2 r7u43Asf 0.47131 2 r7u3oAsf 0.49571 1 r8gm4Dsf -0.30898 1 r8b02Csf -0.63792 1 r8ab3Esf 0.09001 1 r8b3xCsf 0.59328
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2] 0.058 1 1.00 1 99 r8pe9Csf 0.00000 2 r7u44Asf -0.26971 2 r7u42Asf -0.27616 2 r7u3tAsf -0.71734 2 r8fnyAsf 0.26177 2 r7u3oAsf 0.37749 2 r7u43Asf 0.44760 2 r7u45Asf 0.62659
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3] 0.058 1 1.00 1 91 r8pe9Csf 1.00000 2 r7u3tAsf 0.68155 2 r7u45Asf 0.70172 2 r8fnyAsf 0.72310 2 r7u43Asf 0.75996 2 r7u3oAsf 0.78217 2 r7u42Asf 0.78253 2 r8gm5Asf 0.89875 2 r7u44Asf 0.91107 2 r8ar7Csf 0.94808 1 r8b02Csf 0.77012 1 r8b3xCsf 0.80498 1 r8gm4Dsf 0.95103 1 r8ab3Esf 0.99598
_reflns.pdbx_diffrn_id 0.115 1 1.00 1 225 r8pe9Csf 1
_reflns.pdbx_netI_over_sigmaI 0.105 1 1.00 1 206 r8pe9Csf {1.56 - 29.31}
_reflns.pdbx_number_measured_all 0.105 1 1.00 1 206 r8pe9Csf {263 - 2.73986e+06}
_reflns.pdbx_observed_signal_threshold 0.058 1 1.00 1 113 r8pe9Csf 1.20
_reflns.pdbx_ordinal 0.115 1 1.00 1 225 r8pe9Csf 1
_reflns.pdbx_orthogonalization_convention 0.054 1 1.00 1 106 r8pe9Csf pdb
_reflns.pdbx_percent_possible_anomalous 0.105 1 1.00 1 206 r8pe9Csf {36.4 - 100}
_reflns.pdbx_percent_possible_ellipsoidal 0.058 1 1.00 1 113 r8pe9Csf {57.5 - 100}
_reflns.pdbx_percent_possible_ellipsoidal_anomalous 0.058 1 1.00 1 113 r8pe9Csf {57.4 - 100}
_reflns.pdbx_percent_possible_spherical 0.058 1 1.00 1 113 r8pe9Csf {40.1 - 100}
_reflns.pdbx_percent_possible_spherical_anomalous 0.058 1 1.00 1 113 r8pe9Csf {40 - 100}
_reflns.pdbx_redundancy 0.105 1 1.00 1 206 r8pe9Csf {1.64 - 84.53}
_reflns.pdbx_redundancy_anomalous 0.105 1 1.00 1 206 r8pe9Csf {1 - 46.65}
_reflns.pdbx_signal_type 0.058 1 1.00 1 113 r8pe9Csf local <I/sigmaI>
_reflns.percent_possible_obs 0.105 1 1.00 1 206 r8pe9Csf {57.5 - 100}
_reflns_scale.group_code 94.332 1 1.00 1 184713 r8te6sf 1 1 r6wf4Bsf 3
_reflns_shell.Rmerge_I_obs 0.105 1 16.36 20 3353 r8pe9Csf {-151.127 - 2286.49}
_reflns_shell.d_res_high 0.105 1 16.36 20 3354 r8pe9Csf {1.292 - 30.342}
_reflns_shell.d_res_low 0.105 1 16.36 20 3354 r8pe9Csf {1.314 - 120.203}
_reflns_shell.meanI_over_sigI_obs 0.105 1 16.36 20 3353 r8pe9Csf {-0.68 - 85.57}
_reflns_shell.number_measured_all 0.105 1 16.36 20 3353 r8pe9Csf {86 - 168378}
_reflns_shell.number_measured_obs 0.105 1 16.36 20 3353 r8pe9Csf {86 - 168378}
_reflns_shell.number_unique_all 0.105 1 16.36 20 3353 r8pe9Csf {25 - 6902}
_reflns_shell.number_unique_obs 0.105 1 16.36 20 3353 r8pe9Csf {25 - 6902}
_reflns_shell.pdbx_CC_half 0.105 1 16.36 20 3353 r8pe9Csf {-0.427 - 1}
_reflns_shell.pdbx_CC_half_anomalous 0.105 1 16.36 20 3353 r8pe9Csf {-0.998 - 0.976}
_reflns_shell.pdbx_Rpim_I_all 0.105 1 16.36 20 3353 r8pe9Csf {-70.4143 - 997.188}
_reflns_shell.pdbx_Rrim_I_all 0.105 1 16.36 20 3353 r8pe9Csf {-164.573 - 2499.81}
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 0.105 1 16.36 20 3353 r8pe9Csf {0.161 - 2.341}
_reflns_shell.pdbx_ordinal 0.105 1 16.36 20 205 r8pe9Csf 1 204 r8pe9Csf 2 201 r8pe9Csf 3 198 r8pe9Csf 4 196 r8pe9Csf 5 192 r8pe9Csf 6 188 r8pe9Csf 7 181 r8pe9Csf 8 174 r8pe9Csf 9 166 r8pe9Csf 10 161 r8pe9Csf 11 156 r8pe9Csf 12 152 r8pe9Csf 13 150 r8pe9Csf 14 146 r8pe9Csf 15 143 r8pe9Csf 16 141 r8pe9Csf 17 137 r8pe9Csf 18 132 r8pe9Csf 19 131 r8pe9Csf 20
_reflns_shell.pdbx_percent_possible_anomalous 0.105 1 16.36 20 3353 r8pe9Csf {0.2 - 100}
_reflns_shell.pdbx_percent_possible_ellipsoidal 0.057 2 16.24 20 1819 r8pe9Csf {8.8 - 100}
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 0.057 2 16.24 20 1819 r8pe9Csf {0.2 - 100}
_reflns_shell.pdbx_percent_possible_spherical 0.057 2 16.24 20 1819 r8pe9Csf {6.4 - 100}
_reflns_shell.pdbx_percent_possible_spherical_anomalous 0.057 2 16.24 20 1819 r8pe9Csf {6.4 - 100}
_reflns_shell.pdbx_redundancy 0.105 1 16.36 20 3353 r8pe9Csf {1.39 - 99.11}
_reflns_shell.pdbx_redundancy_anomalous 0.105 1 16.36 20 3353 r8pe9Csf {1 - 54.36}
_reflns_shell.percent_possible_all 0.105 1 16.36 20 3353 r8pe9Csf {8.8 - 100}
_software.classification 0.376 1 3.27 4 1650 r8pe9Csf data processing 591 r8pe9Csf data scaling 167 r8piisf data extraction
_software.date 0.105 2 3.63 4 134 r8pe9Csf {line} 408 r8pe9Csf {word} 206 r8pe9Csf {2.01812e+07 - 2.02107e+07}
_software.description 0.317 1 3.66 4 569 r8pe9Csf Automated data processing system 569 r8pe9Csf Data integration and processing 569 r8pe9Csf Data scaling 363 r5qtcBsf Analysis of data anisotropy (including an anisotropic cut-off of merged intensity data), Bayesian estimation of structure amplitudes and anisotropic correction 134 r8pe9Csf Analysis of data anisotropy (including an anisotropic cut-off of merged intensity data), Bayesian estimation of structure factor amplitudes and anisotropic correction 51 r8ibmsf run from mxdepo.html 15 r8gm4Asf Obtain structure factor amplitudes from intensities
_software.location 0.105 3 3.72 4 340 r8pe9Csf https://www.globalphasing.com/ 221 r8pe9Csf https://www.ccp4.ac.uk/ 206 r8pe9Csf https://xds.mpimf-heidelberg.mpg.de/
_software.name 0.376 1 3.27 4 569 r8pe9Csf AIMLESS 569 r8pe9Csf XDS 569 r8pe9Csf autoPROC 519 r8pe9Csf STARANISO 167 r8piisf gemmi 15 r8gm4Asf TRUNCATE
_software.pdbx_ordinal 0.376 1 3.27 4 736 r8piisf 1 591 r8pe9Csf 2 569 r8pe9Csf 3 512 r8pe9Csf 4
_software.type 0.291 3 3.90 4 1138 r8pe9Csf package 1081 r8pe9Csf program
_software.version 0.190 1 2.55 4 408 r8pe9Csf {line} 544 r8piisf {word}
_space_group.IT_number 0.015 1 1.00 1 12 r8eg4sf 146 6 r8f40sf 95 5 r7u45sf 1 2 r8f42sf 78 1 r8epbsf 145 1 r8g4gsf 155 1 r8cs8sf 173 1 r8gh5sf 20
_space_group.crystal_system 0.015 1 1.00 1 14 r8g4gsf trigonal 8 r8f42sf tetragonal 5 r7u45sf triclinic 1 r8cs8sf hexagonal 1 r8gh5sf orthorhombic
_space_group.id 0.010 1 1.00 1 1 r7u45sf 7u45 1 r8gh5sf 8gh5 1 r8g4gsf 8g4g 1 r8eg4sf 8eg4 1 r8e4esf 8e4e 1 r8d93sf 8d93 1 r7urksf 7urk 1 r7ul8sf 7ul8 1 r7uk0sf 7uk0 1 r7ujzsf 7ujz 1 r8cs8sf 1 1 r7u44sf 7u44 1 r7u43sf 7u43 1 r7u42sf 7u42 1 r7u3qsf 7u3q 1 r7u3psf 7u3p 1 r7u3osf 7u3o 1 r7splsf 7spl 1 r7sgbsf 7sgb 1 r7sg9sf 7sg9
_space_group.name_H-M_alt 0.015 1 1.00 1 12 r8eg4sf H 3 6 r8f40sf P 43 2 2 5 r7u45sf P 1 2 r8f42sf P 43 1 r8gh5sf C 2 2 21 1 r8g4gsf H 3 2 1 r8epbsf P 32 1 r8cs8sf P 63
_space_group.name_Hall 0.015 1 1.00 1 10 r8eg4sf H 3 6 r8f40sf P 4cw 2c 5 r7u45sf P 1 2 r8f42sf P 4cw 2 r7sgbsf R 3 1 r8gh5sf C 2c 2 1 r8epbsf P 32 1 r8cs8sf P 6c 1 r8g4gsf H 3 2
_space_group_symop.id 0.017 1 7.18 18 34 r8gh5sf 1 29 r8gh5sf 3 29 r8gh5sf 2 28 r8gh5sf 4 25 r8gh5sf 6 25 r8gh5sf 5 24 r8gh5sf 8 24 r8gh5sf 7 17 r8g4gsf 9 1 r8g4gsf 18 1 r8g4gsf 17 1 r8g4gsf 16 1 r8g4gsf 15 1 r8g4gsf 14 1 r8g4gsf 13 1 r8g4gsf 12 1 r8g4gsf 11 1 r8g4gsf 10
_space_group_symop.operation_xyz 0.017 1 7.18 18 244 r8gh5sf {word}
_symmetry.Int_Tables_number 74.565 1 1.00 1 146007 r8te6sf {-155 - 4005}
_symmetry.entry_id 91.990 1 1.00 1 179603 r8te6sf {word} 525 r8e90sf {1 - 7e+99}
_symmetry.space_group_name_H-M 96.086 1 1.00 1 188122 r8te6sf {line} 25 r6gn2sf {word} 1 r2pr9Asf {172 - 172}
_symmetry.space_group_name_Hall 0.020 1 1.00 1 20 r8eg4sf H 3 6 r7u45sf P 1 6 r8f40sf P 4cw 2c 2 r8f42sf P 4cw 2 r7sgbsf R 3 1 r8gh5sf C 2c 2 1 r8epbsf P 32 1 r8cs8sf P 6c 1 r8g4gsf H 3 2
_symmetry_equiv.id 39.738 1 5.81 96 1 r3o59sf {word} 452090 r8p7jsf {1 - 96}
_symmetry_equiv.pos_as_xyz 39.738 1 5.81 96 399039 r8p7jsf {line} 53050 r7f8tsf {word} 2 r7al4sf {1 - 1}