Software | Name | Version | Classification | NB |
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DENZO | | data reduction | SCALEPACK | | data scaling | REFMAC | | refinement | PDB_EXTRACT | 3.004 | data extraction | SBC-Collect | | data collection | SHELX | | phasing | MLPHARE | | phasing | DM | | phasing | ARP/wARP | | model building | Coot | | model building | | | | | | | | | | |
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Refinement | Resolution: 2.2→41.4 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.913 / SU B: 14.493 / SU ML: 0.166 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.246 / ESU R Free: 0.209 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE
| Rfactor | Num. reflection | % reflection | Selection details |
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Rfree | 0.259 | 1974 | 5 % | RANDOM |
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Rwork | 0.212 | - | - | - |
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obs | 0.214 | 39504 | 99.4 % | - |
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK |
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Displacement parameters | Biso mean: 14.65 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | 0 Å2 | 0 Å2 | 0 Å2 |
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2- | - | 0.02 Å2 | 0 Å2 |
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3- | - | - | -0.02 Å2 |
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Refinement step | Cycle: LAST / Resolution: 2.2→41.4 Å
| Protein | Nucleic acid | Ligand | Solvent | Total |
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Num. atoms | 4723 | 0 | 10 | 96 | 4829 |
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Refine LS restraints | Refine-ID | Type | Dev ideal | Dev ideal target | Number |
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X-RAY DIFFRACTION | r_bond_refined_d0.011 | 0.022 | 4856 | X-RAY DIFFRACTION | r_bond_other_d | | | X-RAY DIFFRACTION | r_angle_refined_deg1.303 | 1.965 | 6588 | X-RAY DIFFRACTION | r_angle_other_deg | | | X-RAY DIFFRACTION | r_dihedral_angle_1_deg5.976 | 5 | 618 | X-RAY DIFFRACTION | r_dihedral_angle_2_deg39.587 | 24.372 | 215 | X-RAY DIFFRACTION | r_dihedral_angle_3_deg16.468 | 15 | 847 | X-RAY DIFFRACTION | r_dihedral_angle_4_deg20.62 | 15 | 30 | X-RAY DIFFRACTION | r_chiral_restr0.091 | 0.2 | 763 | X-RAY DIFFRACTION | r_gen_planes_refined0.006 | 0.021 | 3640 | X-RAY DIFFRACTION | r_gen_planes_other | | | X-RAY DIFFRACTION | r_nbd_refined | | | X-RAY DIFFRACTION | r_nbd_other | | | X-RAY DIFFRACTION | r_nbtor_refined | | | X-RAY DIFFRACTION | r_nbtor_other | | | X-RAY DIFFRACTION | r_xyhbond_nbd_refined | | | X-RAY DIFFRACTION | r_xyhbond_nbd_other | | | X-RAY DIFFRACTION | r_metal_ion_refined | | | X-RAY DIFFRACTION | r_metal_ion_other | | | X-RAY DIFFRACTION | r_symmetry_vdw_refined | | | X-RAY DIFFRACTION | r_symmetry_vdw_other | | | X-RAY DIFFRACTION | r_symmetry_hbond_refined | | | X-RAY DIFFRACTION | r_symmetry_hbond_other | | | X-RAY DIFFRACTION | r_symmetry_metal_ion_refined | | | X-RAY DIFFRACTION | r_symmetry_metal_ion_other | | | X-RAY DIFFRACTION | r_mcbond_it0.467 | 1.5 | 3051 | X-RAY DIFFRACTION | r_mcbond_other | | | X-RAY DIFFRACTION | r_mcangle_it0.866 | 2 | 4943 | X-RAY DIFFRACTION | r_scbond_it1.724 | 3 | 1805 | X-RAY DIFFRACTION | r_scangle_it2.685 | 4.5 | 1639 | X-RAY DIFFRACTION | r_rigid_bond_restr | | | X-RAY DIFFRACTION | r_sphericity_free | | | X-RAY DIFFRACTION | r_sphericity_bonded | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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LS refinement shell | Resolution: 2.2→2.26 Å / Total num. of bins used: 20
| Rfactor | Num. reflection | % reflection |
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Rfree | 0.306 | 133 | - |
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Rwork | 0.264 | 2751 | - |
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obs | - | - | 99.72 % |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION ID | L11 (°2) | L12 (°2) | L13 (°2) | L22 (°2) | L23 (°2) | L33 (°2) | S11 (Å °) | S12 (Å °) | S13 (Å °) | S21 (Å °) | S22 (Å °) | S23 (Å °) | S31 (Å °) | S32 (Å °) | S33 (Å °) | T11 (Å2) | T12 (Å2) | T13 (Å2) | T22 (Å2) | T23 (Å2) | T33 (Å2) | Origin x (Å) | Origin y (Å) | Origin z (Å) |
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1 | 26.1407 | -5.8648 | 7.7607 | 1.8092 | -1.7852 | 2.4813 | 0.5135 | 2.2175 | -0.824 | -0.6058 | -0.3187 | 0.3164 | 0.1365 | 0.4785 | -0.1948 | 0.5395 | -0.0565 | -0.1061 | 0.3961 | -0.045 | 0.2513 | -30.7083 | 3.1065 | -26.9023 | 2 | 19.4135 | -5.847 | 2.3126 | 4.2197 | 0.1093 | 1.7038 | -0.3969 | -0.2203 | -0.0204 | -0.2028 | 0.2495 | -0.1391 | 0.0754 | 0.1388 | 0.1473 | 0.2121 | 0.0522 | 0.1007 | 0.2177 | 0.0642 | 0.2333 | -15.8357 | 2.9336 | -18.6537 | 3 | 2.0105 | -2.6726 | -4.3156 | 18.7288 | 11.0162 | 20.008 | -0.1668 | -0.4017 | 0.1906 | 0.4159 | 0.7225 | -0.7951 | 0.5589 | 0.8411 | -0.5558 | 0.2136 | 0.0305 | -0.111 | 0.3047 | 0.0437 | 0.1574 | -11.7123 | 7.0048 | -8.6878 | 4 | 17.3158 | -0.8271 | 8.8493 | 2.237 | -1.4874 | 5.1475 | -0.5075 | -0.7367 | -0.5506 | 0.2826 | 0.3486 | -0.6033 | -0.4009 | -0.4318 | 0.159 | 0.2923 | 0.0344 | -0.0054 | 0.3482 | 0.0536 | 0.3234 | -21.3015 | 2.0814 | -9.2846 | 5 | 22.2519 | 4.7485 | -9.2372 | 13.6397 | -8.0599 | 7.0514 | -0.3196 | -0.2436 | -0.641 | -0.0232 | 0.2674 | 0.403 | 0.3416 | -0.1986 | 0.0523 | 0.2834 | -0.0196 | 0.0037 | 0.1885 | -0.0576 | 0.1381 | -27.2394 | 8.21 | -13.5964 | 6 | 10.5321 | 7.2021 | -1.297 | 8.941 | 1.1145 | 2.2202 | 0.3949 | 0.2404 | 0.4031 | 0.1912 | -0.1593 | -0.2424 | 0.0044 | 0.1312 | -0.2356 | 0.166 | 0.0512 | -0.0047 | 0.198 | 0.0172 | 0.1382 | -10.1022 | 17.9007 | -18.8989 | 7 | 20.9462 | -0.2683 | -0.1907 | 12.8659 | 0.5339 | 23.6096 | 0.2223 | 0.1076 | 1.0032 | 0.1303 | 0.1701 | 0.1321 | -0.8516 | 0.2544 | -0.3923 | 0.1786 | -0.0207 | -0.0088 | 0.1314 | 0.045 | 0.1632 | -12.6871 | 25.623 | -18.9004 | 8 | 10.3315 | 5.3113 | -8.3755 | 8.7208 | -1.6666 | 15.0494 | 0.1193 | -0.1634 | 0.4771 | 0.1384 | -0.1212 | 0.2024 | -0.3864 | -0.1702 | 0.002 | 0.185 | 0.0191 | -0.0314 | 0.1404 | -0.0141 | 0.1061 | -19.8869 | 21.7953 | -11.7131 | 9 | 9.6625 | 3.6912 | 0.492 | 20.4957 | -0.8709 | 12.6939 | 0.3398 | -0.2943 | 0.7099 | 0.5847 | -0.1366 | 0.2434 | -0.5478 | 0.0526 | -0.2031 | 0.1641 | 0.046 | 0.0515 | 0.3048 | -0.0271 | 0.0862 | -27.3206 | 16.453 | -6.478 | 10 | 9.2306 | 0.8176 | -2.3178 | 0.5668 | 0.1551 | 1.85 | 0.1015 | 0.2136 | -0.0207 | -0.0772 | 0.0409 | -0.173 | -0.0656 | 0.1309 | -0.1425 | 0.1864 | 0.0275 | -0.0036 | 0.1032 | -0.0279 | 0.1481 | -9.8678 | 12.9674 | -19.5057 | 11 | 2.0004 | 3.0008 | -5.0775 | 10.6969 | -6.4117 | 22.9598 | -0.1043 | 0.0506 | -0.0241 | -0.4135 | 0.0076 | 0.0149 | 0.2111 | 0.4333 | 0.0966 | 0.15 | 0.0329 | -0.0371 | 0.3055 | -0.0194 | 0.3286 | -0.052 | 13.2909 | -15.9848 | 12 | 16.3389 | -4.229 | -6.8507 | 8.8986 | 2.9513 | 8.8366 | 0.0467 | -0.1371 | -0.0985 | 0.4832 | -0.1335 | -0.4534 | -0.2595 | 0.2103 | 0.0868 | 0.2083 | -0.008 | -0.0834 | 0.1983 | 0.0151 | 0.1334 | -7.2125 | 18.587 | -8.292 | 13 | 7.9014 | -2.0602 | -6.727 | 1.7614 | 2.0188 | 9.6467 | -0.212 | -0.0518 | -0.2998 | 0.1078 | 0.2033 | -0.2346 | 0.3526 | 0.4664 | 0.0086 | 0.1378 | 0.0194 | -0.0443 | 0.1222 | -0.0143 | 0.196 | -9.4189 | 7.7133 | -20.4292 | 14 | 28.5758 | 0.3379 | -3.2821 | 18.5593 | -10.9173 | 19.8442 | -0.0594 | 0.9447 | -0.3412 | -1.1983 | -0.0353 | -0.0984 | 0.7669 | -0.2339 | 0.0948 | 0.1749 | 0.0279 | 0.0105 | 0.1893 | -0.0818 | 0.0996 | -16.2757 | 6.6836 | -28.6462 | 15 | 17.1876 | 6.4591 | -1.6275 | 8.144 | 3.4832 | 3.1522 | 0.083 | 0.7161 | 0.3801 | -0.5573 | 0.1588 | -0.0418 | -0.3977 | -0.1985 | -0.2418 | 0.2188 | 0.0184 | -0.0233 | 0.2029 | 0.0163 | 0.1201 | -16.9046 | 15.901 | -25.1318 | 16 | 9.1199 | -0.4256 | -6.7261 | 13.1501 | -1.1088 | 10.7919 | -0.4139 | 0.5598 | -0.2526 | -0.07 | 0.1854 | 1.3838 | 0.8684 | -0.612 | 0.2286 | 0.1565 | -0.0215 | -0.0136 | 0.1931 | -0.0231 | 0.2278 | -31.2178 | 7.3694 | -18.3841 | 17 | 25.46 | 14.4236 | 2.0084 | 8.3125 | 0.9103 | 1.7205 | -0.1155 | 0.3985 | 1.4337 | 0.0922 | 0.1592 | 0.8804 | -0.5173 | -0.0114 | -0.0437 | 0.2804 | 0.0499 | 0.0311 | 0.2137 | 0.0055 | 0.1649 | -26.7972 | 13.0916 | -24.9811 | 18 | 23.3265 | -0.4634 | 3.3886 | 5.4271 | 0.8251 | 14.9816 | -0.0593 | 0.1957 | 1.7542 | -0.3898 | 0.3774 | -0.4626 | 0.2172 | 0.1781 | -0.318 | 0.1354 | 0.027 | 0.0494 | 0.1761 | 0.0606 | 0.3086 | -21.5101 | 24.6973 | -23.0794 | 19 | 3.8117 | 2.1795 | -0.47 | 18.23 | -7.3863 | 7.2952 | -0.1017 | 0.2975 | -0.2168 | -0.1434 | 0.2359 | -0.117 | 0.2626 | 0.064 | -0.1343 | 0.1199 | 0.0255 | 0.0244 | 0.1694 | -0.0031 | 0.1244 | -31.0332 | 22.3849 | -19.0823 | 20 | 7.5269 | -7.5842 | -3.8823 | 33.8158 | 2.0815 | 28.0809 | 0.3569 | 0.6834 | -1.5384 | -1.2495 | -0.2509 | 2.1316 | 1.7892 | -1.753 | -0.106 | 0.2816 | -0.0079 | -0.1676 | 0.203 | -0.0838 | 0.5778 | -37.2868 | 12.9876 | -16.9551 | 21 | 6.5789 | 4.2496 | 3.2817 | 22.8352 | 2.0967 | 2.3833 | -0.284 | -0.3925 | 0.6685 | 0.8798 | 0.0779 | -0.3616 | -0.2664 | -0.0514 | 0.2061 | 0.1922 | -0.0356 | -0.1277 | 0.3718 | -0.0044 | 0.1853 | 14.1275 | 46.6042 | -7.9184 | 22 | 4.6804 | -5.1471 | 0.098 | 6.2208 | -3.5513 | 26.4992 | -0.0341 | -0.1112 | -0.1951 | -0.0067 | 0.2599 | 0.1681 | 0.656 | -0.128 | -0.2257 | 0.0954 | -0.0028 | -0.0629 | 0.1634 | -0.0134 | 0.1471 | 13.5132 | 30.256 | -18.1759 | 23 | 2.5325 | 0.4867 | -0.7076 | 8.4991 | -1.3204 | 0.4352 | -0.2313 | 0.4616 | -0.0119 | -0.8466 | 0.0571 | -1.0004 | 0.2526 | -0.0168 | 0.1742 | 0.3372 | 0.0118 | -0.0077 | 0.3171 | 0.0419 | 0.218 | 13.5441 | 41.1675 | -21.9794 | 24 | 1.6452 | -0.7131 | 1.2128 | 17.4984 | -1.6405 | 1.2824 | -0.1653 | -0.0416 | 0.1011 | -0.212 | 0.1881 | -0.1879 | -0.0745 | -0.1161 | -0.0228 | 0.173 | 0.0227 | -0.0891 | 0.2175 | 0.0318 | 0.1283 | 4.442 | 40.0574 | -14.9639 | 25 | 20.8951 | -9.7483 | 3.1394 | 9.0861 | -4.3332 | 3.1352 | -0.0189 | -0.4213 | -0.7335 | 0.1073 | 0.2984 | 0.5219 | -0.0018 | -0.1459 | -0.2795 | 0.1525 | 0.0066 | -0.0332 | 0.1837 | 0.0379 | 0.1711 | -4.8469 | 28.24 | -11.9738 | 26 | 11.2667 | 6.5947 | -3.3532 | 13.9652 | -9.9429 | 11.3143 | 0.006 | -0.014 | 0.0678 | 0.5652 | 0.1394 | 0.5384 | -0.3592 | -0.3834 | -0.1455 | 0.148 | 0.0717 | -0.0346 | 0.1852 | -0.0293 | 0.1196 | -5.2078 | 38.3863 | -17.9815 | 27 | 2.4306 | 7.9054 | 1.4814 | 27.9093 | -2.2929 | 36.7647 | 0.2338 | -0.0661 | 0.4378 | 0.3241 | -0.4946 | 1.5383 | 0.5765 | -1.837 | 0.2608 | 0.2657 | 0.3154 | -0.0763 | 0.676 | -0.1549 | 0.1423 | -1.9707 | 44.0144 | -25.6733 | 28 | 12.7562 | -2.2505 | 5.5949 | 0.9973 | -5.4165 | 36.8086 | -0.1592 | 0.4729 | 0.7633 | 0.0406 | -0.1078 | -0.1719 | -0.3415 | 0.1855 | 0.267 | 0.1166 | -0.0369 | -0.0173 | 0.1749 | 0.0414 | 0.1581 | 5.1963 | 47.104 | -24.0787 | 29 | 1.8929 | -3.6006 | 2.5346 | 11.9137 | -6.1435 | 6.2594 | -0.1487 | -0.3344 | 0.0045 | 0.1623 | 0.2514 | 0.2045 | 0.2877 | -0.3968 | -0.1028 | 0.1616 | 0.0119 | -0.0558 | 0.1767 | 0.0034 | 0.0976 | 4.9407 | 29.6909 | -10.4816 | 30 | 8.5751 | -1.3804 | -3.6679 | 2.9446 | 7.6701 | 31.9878 | -0.1615 | -0.4997 | -0.4134 | 0.2592 | -0.1076 | 0.5477 | 0.9435 | -0.3694 | 0.2691 | 0.2493 | -0.0332 | -0.0453 | 0.2007 | 0.0261 | 0.2399 | 5.847 | 19.7649 | -10.4337 | 31 | 1.8001 | -1.2766 | 3.3451 | 7.0612 | -9.9347 | 15.7766 | 0.1017 | 0.3436 | -0.0226 | -0.2701 | -0.7446 | -0.6741 | 0.6297 | 1.2329 | 0.6429 | 0.1736 | -0.0175 | -0.018 | 0.1946 | -0.0251 | 0.5773 | 5.9346 | 22.582 | -20.1378 | 32 | 19.1573 | 0.9951 | 6.9006 | 14.2695 | -8.1737 | 25.8759 | -0.4087 | 0.7717 | -0.5791 | -0.0181 | 0.3711 | -0.2948 | 0.5798 | -0.8293 | 0.0375 | 0.1251 | 0.0052 | -0.0061 | 0.1724 | -0.033 | 0.0675 | -1.3581 | 27.4084 | -22.8504 | 33 | 7.126 | -3.488 | 4.4604 | 5.5108 | -6.5851 | 14.5697 | -0.0044 | 0.4813 | 0.1363 | 0.0253 | -0.3379 | -0.4528 | 0.1601 | 0.9037 | 0.3423 | 0.1109 | 0.0067 | -0.0627 | 0.0997 | -0.0106 | 0.1477 | 9.5791 | 31.6955 | -15.3502 | 34 | 5.2055 | -0.7452 | 0.5266 | 6.5915 | -6.0531 | 11.5093 | -0.0183 | -0.3788 | -0.3957 | 0.2855 | -0.1588 | 0.0805 | 0.2046 | 0.1203 | 0.177 | 0.245 | -0.0258 | -0.003 | 0.2332 | -0.001 | 0.1234 | 12.3551 | 27.9105 | -2.944 | 35 | 29.1741 | 1.8351 | -0.2957 | 20.6046 | -2.3665 | 16.7255 | 0.2353 | -1.2418 | -0.0392 | 0.9133 | -0.2476 | -0.2989 | -0.053 | 0.1659 | 0.0123 | 0.2059 | 0.039 | -0.1014 | 0.2119 | -0.0314 | 0.08 | 10.3237 | 37.5329 | -2.4187 | 36 | 6.7605 | 4.261 | -2.4031 | 11.8042 | -5.0828 | 5.6019 | 0.2851 | -0.4849 | 0.4555 | 0.9004 | -0.1989 | 0.3119 | -0.3903 | 0.1523 | -0.0861 | 0.204 | 0.0446 | -0.0419 | 0.1919 | -0.0344 | 0.1165 | 4.6277 | 43.9748 | -10.3175 | 37 | 16.0882 | 16.105 | -1.0199 | 33.0311 | -9.1044 | 13.328 | -0.1348 | -0.6726 | 0.2104 | 0.4902 | -0.2014 | -0.1903 | -0.7149 | 0.1039 | 0.3363 | 0.261 | 0.0645 | -0.1363 | 0.1795 | -0.0572 | 0.1355 | 6.657 | 49.54 | -7.8555 | 38 | 27.2801 | 2.0926 | 1.1758 | 22.4806 | -3.3595 | 5.636 | -0.128 | -1.1966 | 0.3275 | 0.3363 | 0.3449 | 0.7624 | -0.213 | -0.1391 | -0.2168 | 0.2269 | 0.1584 | 0.0737 | 0.4867 | 0.148 | 0.1906 | -5.6119 | 40.7444 | -6.758 | 39 | 21.073 | 5.1549 | -1.9108 | 8.7491 | -3.6161 | 1.5594 | 0.2335 | -0.5304 | 0.0007 | 0.3129 | -0.2751 | -0.1959 | -0.0993 | 0.0257 | 0.0417 | 0.204 | 0.0502 | -0.0896 | 0.1891 | -0.0295 | 0.164 | -5.9511 | 49.7106 | -13.3013 | 40 | 25.8804 | 0.9496 | -2.4459 | 12.3524 | -2.7203 | 24.8412 | 0.6514 | -0.9766 | 1.5379 | 0.7917 | -0.6313 | 0.1469 | -1.5568 | 0.9354 | -0.02 | 0.3 | -0.0295 | -0.1306 | 0.1579 | -0.0748 | 0.3487 | 3.2541 | 57.2778 | -15.7927 | 41 | 12.3301 | -0.1465 | 2.2573 | 6.9078 | -1.1326 | 0.6325 | 0.069 | 0.8013 | 0.0377 | -0.0024 | -0.1108 | -0.5959 | -0.0437 | 0.1936 | 0.0417 | 0.212 | 0.0211 | -0.0061 | 0.2043 | -0.0154 | 0.209 | -16.5017 | 72.8503 | -20.9314 | 42 | 12.651 | 5.5653 | -5.3584 | 13.077 | -1.4198 | 4.7492 | -0.699 | -0.4079 | -0.1099 | 0.8275 | 0.6885 | 0.4918 | 0.5317 | 0.1732 | 0.0105 | 0.5208 | 0.1095 | 0.178 | 0.2561 | -0.0443 | 0.3367 | -28.5429 | 69.0745 | -9.007 | 43 | 14.3288 | -6.7333 | 1.7289 | 9.5093 | 7.3931 | 10.9828 | -0.5012 | 0.2316 | 1.0844 | 0.4948 | 0.4352 | -0.6835 | 0.0948 | 0.5713 | 0.0659 | 0.5613 | 0.1524 | -0.077 | 0.3038 | -0.0472 | 0.3871 | -17.0361 | 72.9445 | -8.9572 | 44 | 22.4085 | -4.5167 | -1.6952 | 2.134 | -0.7136 | 1.1544 | -0.3536 | -0.7737 | 0.0082 | 0.8734 | 0.204 | -0.3052 | -0.6166 | 0.1284 | 0.1496 | 0.5585 | 0.1093 | -0.2206 | 0.1847 | -0.0517 | 0.2781 | -13.288 | 64.9774 | -12.706 | 45 | 15.1079 | 11.2938 | 3.0094 | 15.3334 | -1.5274 | 4.762 | 0.1428 | -0.4114 | -0.4053 | 0.5237 | -0.0285 | 0.7278 | -0.0106 | -0.0835 | -0.1143 | 0.2779 | 0.036 | 0.1192 | 0.1779 | 0.0085 | 0.3405 | -29.1547 | 58.0607 | -17.7702 | 46 | 31.4455 | 4.9033 | 15.8665 | 9.4882 | 3.1244 | 19.2841 | 0.4249 | 0.4048 | -0.8174 | 0.605 | -0.1357 | 0.2583 | 0.9923 | -0.1931 | -0.2891 | 0.3393 | 0.0507 | 0.0978 | 0.158 | -0.039 | 0.2574 | -26.8492 | 50.4433 | -18.2479 | 47 | 5.1463 | 0.0571 | 6.3008 | 10.1073 | 8.8373 | 21.0385 | -0.0492 | -0.1559 | -0.5856 | 1.3034 | 0.5147 | 0.1898 | 0.8177 | 0.4235 | -0.4655 | 0.6618 | 0.1647 | 0.0141 | 0.1542 | 0.0761 | 0.1861 | -19.6401 | 52.8321 | -11.2087 | 48 | 29.9855 | 1.3057 | 1.6925 | 34.3902 | -2.3458 | 14.6925 | 0.6052 | -1.166 | 0.0313 | 0.9586 | 0.1038 | -0.6006 | 0.8473 | 0.1005 | -0.7089 | 0.6586 | 0.1432 | 0.0092 | 0.5325 | -0.0181 | 0.1829 | -14.8995 | 57.229 | -4.4584 | 49 | 9.657 | 0.2243 | -2.2008 | 5.9803 | 1.1295 | 1.9986 | -0.212 | -1.0571 | 0.4388 | 1.0798 | 0.2601 | -0.0829 | 0.2932 | 0.4142 | -0.0481 | 0.4241 | 0.1175 | -0.0008 | 0.2201 | -0.0492 | 0.1331 | -19.3564 | 63.3089 | -11.5915 | 50 | 24.2417 | 9.3275 | -8.022 | 6.3643 | -7.1383 | 8.8427 | 0.1368 | 0.764 | -0.0853 | -0.1913 | 0.3229 | 0.4494 | 0.3135 | -0.38 | -0.4598 | 0.207 | 0.0287 | 0.0939 | 0.1379 | 0.0352 | 0.428 | -36.308 | 61.5558 | -23.7953 | 51 | 5.4144 | -3.4944 | 3.6811 | 4.9966 | 0.4066 | 8.1928 | -0.2555 | -0.0622 | 0.0104 | 0.6334 | 0.0253 | 0.5112 | 0.5245 | -0.3355 | 0.2303 | 0.4316 | 0.0338 | 0.3117 | 0.1799 | 0.0543 | 0.5483 | -35.0141 | 58.3177 | -10.4122 | 52 | 11.9435 | -0.0398 | 5.7184 | 8.2012 | -3.9107 | 4.7812 | 0.0075 | -0.7911 | 0.0712 | 0.9317 | -0.0233 | 0.0442 | -0.197 | -0.2176 | 0.0158 | 0.5492 | 0.1088 | 0.1246 | 0.2148 | -0.0217 | 0.1481 | -25.4886 | 62.5671 | -8.5964 | 53 | 4.3816 | 2.3352 | 1.1395 | 15.9014 | 13.9649 | 16.7904 | 0.1509 | 0.4 | 1.6579 | -0.54 | -0.4949 | 0.8156 | -0.9911 | -0.7498 | 0.3439 | 0.9879 | 0.123 | -0.0049 | 0.1738 | 0.1826 | 0.7628 | -32.6069 | 72.6424 | -22.0994 | 54 | 24.0085 | 4.5215 | 2.4687 | 7.859 | -0.8663 | 14.9773 | 0.0305 | 0.7996 | 0.4726 | -0.2665 | 0.0601 | 0.9819 | 0.2667 | -0.7148 | -0.0905 | 0.1251 | 0.0258 | -0.0053 | 0.1903 | 0.0276 | 0.2284 | -31.8379 | 68.9114 | -26.0569 | 55 | 25.119 | 0.8572 | 3.4801 | 21.918 | 11.8566 | 12.7705 | 0.1752 | 0.8793 | 0.2334 | -0.7234 | 0.2558 | -0.0307 | -0.2218 | 0.0506 | -0.4311 | 0.1441 | 0.0051 | 0.0201 | 0.2404 | 0.0604 | 0.1161 | -23.0637 | 68.5501 | -27.0679 | 56 | 7.9885 | 1.614 | 1.959 | 7.9394 | 1.4519 | 1.3754 | -0.2488 | 0.4484 | 0.07 | 0.0219 | 0.3163 | -0.056 | -0.0426 | 0.3394 | -0.0676 | 0.2173 | 0.019 | 0.0103 | 0.2441 | -0.0169 | 0.1188 | -16.4925 | 62.4415 | -20.3655 | 57 | 20.3348 | 6.3836 | 0.6469 | 9.0865 | -1.5236 | 17.8547 | -0.5679 | 0.4944 | 0.1661 | 0.0076 | 0.2564 | -0.5012 | -0.0088 | 1.1853 | 0.3115 | 0.1289 | 0.0126 | -0.0361 | 0.2558 | 0.0896 | 0.2491 | -10.7671 | 66.2932 | -22.1566 | 58 | 24.3295 | -3.2826 | -1.4552 | 32.1058 | -5.4316 | 6.9989 | 0.1598 | 0.3047 | 0.1375 | -0.3372 | -0.1246 | -0.4847 | 0.0224 | -0.1103 | -0.0351 | 0.1745 | -0.0079 | -0.0244 | 0.2216 | -0.0611 | 0.1297 | -18.2061 | 52.5752 | -23.821 | 59 | 15.8478 | 1.9914 | 2.2057 | 17.6344 | 1.3487 | 3.8359 | -0.0101 | 0.1078 | 0.2976 | 0.0718 | -0.0725 | 0.5225 | -0.0978 | -0.3064 | 0.0827 | 0.2 | 0.0711 | -0.0726 | 0.1676 | 0.0079 | 0.1572 | -9.1464 | 52.6822 | -17.7462 | 60 | 24.4017 | 16.791 | 31.8942 | 12.2952 | 23.2292 | 44.1953 | -1.1597 | 1.5737 | 0.0175 | -0.8362 | 1.1929 | -0.3193 | -1.7759 | 2.2197 | -0.0332 | 0.346 | 0.0243 | -0.3647 | 0.2304 | 0.0015 | 1.1279 | -2.1782 | 62.4697 | -15.3869 | 61 | 3.8177 | -0.1908 | -0.1104 | 0.4582 | 0.9108 | 4.9742 | -0.012 | -0.1557 | 0.009 | -0.0226 | -0.3722 | 0.1635 | -0.1953 | 0.004 | 0.3842 | 0.1848 | 0.0323 | 0.1033 | 0.4579 | -0.0043 | 0.392 | -54.4374 | 38.1381 | -15.0827 | 62 | 3.9775 | 1.55 | -0.5572 | 8.4714 | -0.9227 | 0.1808 | 0.1366 | 0.3518 | 0.0208 | -0.5215 | -0.0923 | 0.584 | 0.0285 | -0.1579 | -0.0442 | 0.2656 | -0.0292 | -0.0427 | 0.4957 | 0.0257 | 0.5227 | -52.8833 | 35.2201 | -24.0811 | 63 | 1.5632 | -3.7706 | -1.5378 | 17.6917 | 2.4564 | 2.2163 | -0.1826 | -0.1132 | 0.0478 | 1.158 | 0.6483 | 1.1569 | -0.0635 | 0.3901 | -0.4657 | 0.1832 | 0.0507 | 0.2284 | 0.346 | 0.0056 | 0.3656 | -43.9858 | 35.346 | -15.9057 | 64 | 13.8998 | -5.6553 | -4.0998 | 11.3697 | 3.7108 | 1.9039 | 0.1895 | -0.3707 | 0.4095 | 0.9125 | -0.1166 | 0.2576 | 0.0621 | -0.0692 | -0.0729 | 0.4296 | -0.0331 | 0.1683 | 0.202 | -0.0351 | 0.2839 | -35.1315 | 47.0141 | -11.7093 | 65 | 6.0658 | 3.4654 | 1.9768 | 9.2542 | 3.9002 | 13.2107 | 0.2216 | -0.0802 | -0.1377 | 0.989 | 0.1367 | -0.0618 | 0.0459 | 0.2983 | -0.3582 | 0.19 | 0.0306 | 0.0396 | 0.1442 | 0.0301 | 0.1581 | -33.839 | 37.5046 | -17.6805 | 66 | 1.135 | 2.7907 | -4.9365 | 31.529 | -8.6419 | 24.7037 | -0.0022 | -0.1142 | 0.0382 | -0.5681 | 0.2484 | -0.7766 | -0.4946 | 1.4762 | -0.2461 | 0.1364 | -0.0646 | -0.0046 | 0.3836 | -0.0438 | 0.2098 | -37.2496 | 32.0117 | -26.3566 | 67 | 10.6333 | -4.2375 | 4.5211 | 13.8072 | 8.5275 | 20.5842 | -0.045 | 0.6998 | -0.0191 | -0.758 | 0.3074 | 0.9254 | -0.4429 | -0.2519 | -0.2624 | 0.1595 | -0.051 | -0.0242 | 0.285 | 0.0413 | 0.3629 | -44.1874 | 28.2689 | -25.4335 | 68 | 6.4028 | -3.8633 | -7.422 | 3.7543 | 6.5457 | 14.8203 | -0.7781 | -0.5259 | -0.1204 | 0.5381 | 0.153 | 0.2131 | 0.3376 | 0.3085 | 0.6251 | 0.38 | -0.023 | 0.1372 | 0.2646 | 0.029 | 0.4092 | -45.5082 | 44.2522 | -11.5798 | 69 | 1.8097 | 0.36 | 9.5902 | 13.274 | 9.0838 | 54.8668 | -0.3914 | 0.0639 | 0.0568 | -0.0175 | -0.1884 | 0.5087 | -1.8624 | 0.1447 | 0.5798 | 0.3805 | -0.031 | 0.174 | 0.2839 | 0.0414 | 0.5456 | -45.8655 | 55.0853 | -10.7777 | 70 | 8.9334 | -6.5324 | -0.2791 | 8.3335 | 5.2324 | 8.7782 | -0.0345 | 0.6593 | 0.1392 | -0.0704 | -0.3487 | 0.4829 | -0.3256 | 0.069 | 0.3831 | 0.1733 | -0.0171 | 0.1602 | 0.1605 | 0.048 | 0.5289 | -40.0274 | 49.8238 | -21.838 | 71 | 18.2884 | -6.6788 | -0.4134 | 10.4971 | 3.3598 | 1.3639 | 0.1827 | 0.7344 | -0.7019 | 0.1452 | -0.2518 | 0.5874 | -0.0205 | -0.0844 | 0.0691 | 0.1727 | 0.0585 | 0.089 | 0.1556 | 0.0699 | 0.3689 | -45.232 | 41.7762 | -21.7665 | 72 | 27.0153 | 16.3934 | 0.4739 | 13.0295 | -1.5249 | 2.2745 | 0.7101 | -0.2183 | 0.2212 | 0.2804 | -0.1698 | -0.015 | -0.2027 | -0.8836 | -0.5402 | 0.2838 | 0.133 | 0.0338 | 0.7175 | 0.4674 | 0.9743 | -55.4467 | 46.8504 | -7.9074 | 73 | 8.5938 | 3.5743 | 5.5276 | 31.2189 | 6.9548 | 4.7281 | -0.0502 | -1.0207 | 0.1091 | 0.4327 | 0.0414 | 0.2636 | -0.1713 | -0.2644 | 0.0089 | 0.2599 | 0.0312 | 0.1078 | 0.5329 | -0.0413 | 0.216 | -52.8678 | 46.0779 | -4.0774 | 74 | 0.5701 | -2.4601 | 0.5843 | 15.5348 | -3.6781 | 30.1667 | -0.134 | -0.111 | 0.1705 | 0.9706 | -0.5301 | 0.0869 | 0.6431 | 0.2112 | 0.6641 | 0.211 | -0.0737 | 0.0678 | 0.3938 | -0.0874 | 0.2815 | -50.9135 | 37.2347 | -3.8655 | 75 | 4.8237 | -1.2536 | 3.9078 | 3.8004 | -2.5924 | 4.5192 | -0.1706 | -0.5989 | 0.109 | 0.4197 | 0.133 | 0.0167 | -0.301 | -0.3968 | 0.0376 | 0.53 | -0.1711 | 0.2031 | 0.3906 | -0.0263 | 0.1901 | -42.1161 | 35.6244 | -8.3461 | 76 | 6.8611 | 4.1922 | 0.8915 | 22.5373 | 3.5339 | 1.9305 | -0.169 | 0.4586 | -0.4181 | 0.8866 | 0.2354 | 1.4129 | 0.2544 | -0.1113 | -0.0665 | 0.3836 | -0.1242 | -0.016 | 0.309 | 0.0558 | 0.5162 | -50.4823 | 22.2742 | -16.2967 | 77 | 13.5875 | 20.1861 | 7.6206 | 32.8759 | 12.6442 | 16.7747 | 0.284 | -0.2853 | -0.199 | 1.2348 | -0.2377 | -0.8111 | 0.524 | 0.287 | -0.0464 | 0.3123 | 0.0603 | -0.0346 | 0.2855 | 0.0822 | 0.2734 | -44.8302 | 27.3517 | -8.3918 | 78 | 7.0191 | -10.1475 | -3.7738 | 24.5073 | 12.3377 | 11.2138 | 0.1321 | -0.5311 | 0.6406 | 0.7632 | -0.3603 | -0.973 | -0.3473 | -0.0647 | 0.2282 | 0.6325 | -0.1508 | -0.0731 | 0.3312 | 0.1106 | 0.2759 | -32.8393 | 34.1759 | -8.895 | 79 | 28.9564 | 3.1876 | 6.0682 | 1.8294 | 1.303 | 1.6148 | 0.1773 | -0.3035 | -0.0937 | 0.3786 | -0.0728 | -0.0824 | 0.059 | -0.0827 | -0.1045 | 0.3463 | -0.0266 | 0.059 | 0.1685 | 0.0045 | 0.129 | -34.3005 | 24.9882 | -14.098 | 80 | 7.9816 | 13.6446 | 11.943 | 36.8381 | 10.5771 | 26.6574 | 0.8974 | -0.3248 | -0.0557 | 1.5031 | -0.5046 | 1.5281 | 1.7305 | -0.5569 | -0.3928 | 0.2137 | 0.0643 | 0.1813 | 0.255 | 0.0467 | 0.6931 | -42.7614 | 18.2546 | -17.4709 |
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Refinement TLS group | ID | Refine-ID | Refine TLS-ID | Auth asym-ID | Auth seq-ID |
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1 | X-RAY DIFFRACTION | 1 | A4 - 9 | 2 | X-RAY DIFFRACTION | 2 | A10 - 15 | 3 | X-RAY DIFFRACTION | 3 | A16 - 20 | 4 | X-RAY DIFFRACTION | 4 | A21 - 27 | 5 | X-RAY DIFFRACTION | 5 | A28 - 35 | 6 | X-RAY DIFFRACTION | 6 | A36 - 42 | 7 | X-RAY DIFFRACTION | 7 | A43 - 48 | 8 | X-RAY DIFFRACTION | 8 | A49 - 57 | 9 | X-RAY DIFFRACTION | 9 | A58 - 65 | 10 | X-RAY DIFFRACTION | 10 | A66 - 77 | 11 | X-RAY DIFFRACTION | 11 | A78 - 84 | 12 | X-RAY DIFFRACTION | 12 | A85 - 94 | 13 | X-RAY DIFFRACTION | 13 | A95 - 112 | 14 | X-RAY DIFFRACTION | 14 | A113 - 117 | 15 | X-RAY DIFFRACTION | 15 | A118 - 125 | 16 | X-RAY DIFFRACTION | 16 | A126 - 132 | 17 | X-RAY DIFFRACTION | 17 | A133 - 137 | 18 | X-RAY DIFFRACTION | 18 | A138 - 143 | 19 | X-RAY DIFFRACTION | 19 | A144 - 151 | 20 | X-RAY DIFFRACTION | 20 | A152 - 157 | 21 | X-RAY DIFFRACTION | 21 | B4 - 13 | 22 | X-RAY DIFFRACTION | 22 | B14 - 18 | 23 | X-RAY DIFFRACTION | 23 | B19 - 29 | 24 | X-RAY DIFFRACTION | 24 | B30 - 39 | 25 | X-RAY DIFFRACTION | 25 | B40 - 47 | 26 | X-RAY DIFFRACTION | 26 | B48 - 56 | 27 | X-RAY DIFFRACTION | 27 | B57 - 61 | 28 | X-RAY DIFFRACTION | 28 | B62 - 66 | 29 | X-RAY DIFFRACTION | 29 | B67 - 76 | 30 | X-RAY DIFFRACTION | 30 | B77 - 81 | 31 | X-RAY DIFFRACTION | 31 | B82 - 87 | 32 | X-RAY DIFFRACTION | 32 | B88 - 94 | 33 | X-RAY DIFFRACTION | 33 | B95 - 104 | 34 | X-RAY DIFFRACTION | 34 | B105 - 112 | 35 | X-RAY DIFFRACTION | 35 | B113 - 118 | 36 | X-RAY DIFFRACTION | 36 | B119 - 131 | 37 | X-RAY DIFFRACTION | 37 | B132 - 136 | 38 | X-RAY DIFFRACTION | 38 | B137 - 142 | 39 | X-RAY DIFFRACTION | 39 | B143 - 151 | 40 | X-RAY DIFFRACTION | 40 | B152 - 157 | 41 | X-RAY DIFFRACTION | 41 | C6 - 13 | 42 | X-RAY DIFFRACTION | 42 | C14 - 20 | 43 | X-RAY DIFFRACTION | 43 | C21 - 29 | 44 | X-RAY DIFFRACTION | 44 | C30 - 35 | 45 | X-RAY DIFFRACTION | 45 | C36 - 41 | 46 | X-RAY DIFFRACTION | 46 | C42 - 49 | 47 | X-RAY DIFFRACTION | 47 | C50 - 56 | 48 | X-RAY DIFFRACTION | 48 | C57 - 62 | 49 | X-RAY DIFFRACTION | 49 | C63 - 72 | 50 | X-RAY DIFFRACTION | 50 | C73 - 77 | 51 | X-RAY DIFFRACTION | 51 | C78 - 94 | 52 | X-RAY DIFFRACTION | 52 | C95 - 100 | 53 | X-RAY DIFFRACTION | 53 | C101 - 106 | 54 | X-RAY DIFFRACTION | 54 | C107 - 112 | 55 | X-RAY DIFFRACTION | 55 | C113 - 118 | 56 | X-RAY DIFFRACTION | 56 | C119 - 130 | 57 | X-RAY DIFFRACTION | 57 | C131 - 136 | 58 | X-RAY DIFFRACTION | 58 | C137 - 142 | 59 | X-RAY DIFFRACTION | 59 | C143 - 151 | 60 | X-RAY DIFFRACTION | 60 | C152 - 157 | 61 | X-RAY DIFFRACTION | 61 | D8 - 17 | 62 | X-RAY DIFFRACTION | 62 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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