Software | Name | Version | Classification |
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CrystalClear | | data collectionXDS | 2.5.2data reductionXSCALE | | data scalingPDB_EXTRACT | 3.14 | data extractionPHASER | | phasingPHENIX | (phenix.refine: dev_1702)refinement | | | | | | | |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3v2h Resolution: 1.9→48.049 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.99 / Phase error: 21.01 / Stereochemistry target values: ML
| Rfactor | Num. reflection | % reflection | Selection details |
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Rfree | 0.2223 | 8451 | 5.01 % | Random selection |
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Rwork | 0.183 | 160366 | - | - |
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obs | 0.185 | 168817 | 98.57 % | - |
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL |
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Displacement parameters | Biso max: 99.65 Å2 / Biso mean: 33.2067 Å2 / Biso min: 5.97 Å2 |
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Refinement step | Cycle: final / Resolution: 1.9→48.049 Å
| Protein | Nucleic acid | Ligand | Solvent | Total |
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Num. atoms | 14304 | 0 | 46 | 1240 | 15590 |
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Biso mean | - | - | 42.54 | 36.09 | - |
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Num. residues | - | - | - | - | 2006 |
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Refine LS restraints | Refine-ID | Type | Dev ideal | Number |
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X-RAY DIFFRACTION | f_bond_d0.007 | 14767 | X-RAY DIFFRACTION | f_angle_d0.957 | 20138 | X-RAY DIFFRACTION | f_chiral_restr0.04 | 2420 | X-RAY DIFFRACTION | f_plane_restr0.004 | 2617 | X-RAY DIFFRACTION | f_dihedral_angle_d12.375 | 5003 | | | | | |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30 Resolution (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Num. reflection all | % reflection obs (%) |
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1.9-1.9216 | 0.3067 | 233 | 0.2618 | 4756 | 4989 | 88 | 1.9216-1.9442 | 0.3102 | 245 | 0.2545 | 4973 | 5218 | 92 | 1.9442-1.9679 | 0.2731 | 269 | 0.2225 | 5082 | 5351 | 94 | 1.9679-1.9928 | 0.2468 | 282 | 0.2089 | 5117 | 5399 | 95 | 1.9928-2.0191 | 0.2575 | 248 | 0.2084 | 5228 | 5476 | 96 | 2.0191-2.0467 | 0.2634 | 273 | 0.2082 | 5261 | 5534 | 97 | 2.0467-2.076 | 0.2632 | 314 | 0.2089 | 5256 | 5570 | 98 | 2.076-2.1069 | 0.2472 | 280 | 0.2011 | 5332 | 5612 | 99 | 2.1069-2.1399 | 0.2612 | 274 | 0.1965 | 5395 | 5669 | 99 | 2.1399-2.175 | 0.2179 | 288 | 0.1865 | 5357 | 5645 | 100 | 2.175-2.2125 | 0.2163 | 301 | 0.1787 | 5406 | 5707 | 100 | 2.2125-2.2527 | 0.2317 | 248 | 0.1788 | 5453 | 5701 | 100 | 2.2527-2.296 | 0.2228 | 311 | 0.1773 | 5426 | 5737 | 100 | 2.296-2.3429 | 0.224 | 273 | 0.1708 | 5380 | 5653 | 100 | 2.3429-2.3938 | 0.2065 | 293 | 0.1691 | 5412 | 5705 | 100 | 2.3938-2.4495 | 0.2004 | 288 | 0.1685 | 5359 | 5647 | 100 | 2.4495-2.5108 | 0.2166 | 323 | 0.1798 | 5398 | 5721 | 100 | 2.5108-2.5786 | 0.233 | 275 | 0.1755 | 5401 | 5676 | 100 | 2.5786-2.6545 | 0.2144 | 284 | 0.1754 | 5438 | 5722 | 100 | 2.6545-2.7402 | 0.218 | 285 | 0.18 | 5378 | 5663 | 100 | 2.7402-2.8381 | 0.2491 | 271 | 0.1838 | 5443 | 5714 | 100 | 2.8381-2.9517 | 0.2295 | 302 | 0.1867 | 5424 | 5726 | 100 | 2.9517-3.086 | 0.232 | 278 | 0.1866 | 5436 | 5714 | 100 | 3.086-3.2487 | 0.2195 | 265 | 0.1829 | 5441 | 5706 | 100 | 3.2487-3.4522 | 0.2035 | 266 | 0.1847 | 5476 | 5742 | 100 | 3.4522-3.7187 | 0.2017 | 321 | 0.1717 | 5386 | 5707 | 100 | 3.7187-4.0927 | 0.2199 | 283 | 0.1682 | 5454 | 5737 | 100 | 4.0927-4.6845 | 0.2115 | 306 | 0.1569 | 5445 | 5751 | 100 | 4.6845-5.9003 | 0.1977 | 265 | 0.1744 | 5503 | 5768 | 100 | 5.9003-48.064 | 0.2023 | 307 | 0.1976 | 5550 | 5857 | 99 |
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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 | 0.7238 | 0.0498 | -0.1009 | 0.0668 | -0.3393 | 1.8135 | 0.0439 | 0.1361 | -0.2718 | -0.3295 | 0.0539 | -0.1049 | 0.3398 | 0.0862 | -0.0493 | 0.3769 | 0.0182 | -0.0114 | 0.1629 | -0.0566 | 0.1518 | 3.4436 | -13.32 | 3.4597 | 2 | 1.3479 | 0.4075 | 0.3334 | 2.1211 | 0.1928 | 1.7663 | 0.0495 | 0.2209 | -0.185 | -0.2851 | 0.0518 | -0.2534 | 0.2437 | 0.3161 | -0.0805 | 0.2754 | 0.0437 | 0.0151 | 0.2462 | -0.077 | 0.1333 | 9.686 | -11.1354 | 1.7838 | 3 | 0.6429 | -0.2048 | 0.0513 | 1.9045 | 0.2335 | 0.6554 | 0.0792 | 0.3098 | -0.1853 | -0.3867 | 0.0742 | -0.2577 | 0.0371 | 0.3268 | -0.0192 | 0.3657 | 0.0381 | 0.0407 | 0.3606 | -0.1311 | 0.1609 | 9.6038 | -8.1749 | -5.6523 | 4 | 0.3367 | 0.0545 | 0.1333 | 2.8777 | 0.5313 | 0.7617 | 0.0067 | 0.1949 | -0.0495 | -0.3439 | 0.0339 | 0.0276 | -0.0473 | 0.0291 | 0.0024 | 0.4386 | -0.0236 | -0.0196 | 0.2294 | -0.0245 | 0.0559 | -1.7493 | -1.9607 | -6.4848 | 5 | 0.334 | -0.4198 | 0.1522 | 0.5887 | 0.0784 | 1.2538 | 0.0484 | 0.1786 | -0.0304 | -0.1945 | 0.0362 | -0.2674 | -0.0671 | 0.2711 | -0.0452 | 0.1995 | -0.021 | 0.0367 | 0.2025 | 0.006 | 0.1055 | 11.1973 | 5.3822 | 8.55 | 6 | 1.3701 | 0.5934 | 0.3722 | 1.5481 | 0.4334 | 1.0061 | -0.0057 | 0.2032 | 0.0663 | -0.3203 | 0.0282 | -0.0212 | -0.037 | 0.1408 | -0.0039 | 0.2387 | -0.0098 | 0.0038 | 0.1747 | 0.0079 | 0.0661 | 2.8769 | 6.7935 | 4.9941 | 7 | 1.7258 | 0.1915 | 0.4613 | 1.0166 | 0.1579 | 1.2601 | -0.0071 | 0.052 | -0.0829 | -0.1837 | 0.0064 | 0.016 | 0.0851 | -0.0263 | -0.023 | 0.1518 | -0.016 | -0.016 | 0.1126 | 0.0077 | 0.0401 | 1.2861 | 0.7829 | 13.7881 | 8 | 1.2353 | -0.0848 | 0.3783 | 1.6308 | 0.058 | 1.8264 | -0.0503 | 0.1486 | 0.126 | -0.217 | 0.0145 | -0.4361 | 0.0192 | 0.4786 | -0.0199 | 0.2302 | -0.0177 | 0.0505 | 0.2399 | 0.014 | 0.111 | 15.5896 | -4.324 | 13.3525 | 9 | 1.5337 | 0.9143 | 0.2783 | 1.6127 | -0.0698 | 0.9305 | 0.0115 | 0.0392 | -0.0506 | -0.0057 | -0.0339 | -0.6694 | -0.1656 | 0.784 | -0.0398 | 0.1669 | 0.006 | -0.0039 | 0.4074 | -0.0079 | 0.2964 | 26.2638 | -5.3702 | 22.4921 | 10 | 1.5499 | 0.1064 | 0.2707 | 0.9123 | -0.0927 | 1.2333 | 0.0225 | 0.0724 | -0.179 | -0.1166 | 0.0002 | -0.0649 | 0.1589 | 0.0977 | -0.0406 | 0.1666 | 0.0126 | -0.0046 | 0.1072 | -0.0022 | 0.0711 | 6.2573 | -10.2475 | 18.2659 | 11 | 0.7157 | -0.116 | -0.0124 | 1.1665 | -0.1936 | 0.7544 | -0.0798 | 0.06 | 0.2487 | -0.0357 | 0.0334 | -0.0107 | -0.292 | 0.0074 | 0.0255 | 0.2027 | -0.0138 | -0.0275 | 0.0983 | 0.0253 | 0.1215 | 3.4943 | 24.8936 | 20.7226 | 12 | 1.5114 | -0.1047 | -0.1681 | 1.233 | -0.11 | 0.9407 | -0.0269 | 0.0783 | 0.1261 | -0.0261 | 0.0469 | 0.3297 | -0.1486 | -0.2303 | 0.0476 | 0.1353 | 0.0406 | -0.0112 | 0.1197 | 0.0205 | 0.1403 | -8.1058 | 15.4598 | 30.0766 | 13 | 1.0312 | -0.3448 | -0.4696 | 1.0631 | 0.9027 | 1.3509 | 0.0982 | -0.13 | 0.1317 | 0.1638 | 0.0456 | -0.033 | -0.1767 | 0.1611 | -0.0426 | 0.4518 | 0.0099 | 0.0127 | 0.2196 | -0.0834 | 0.0813 | 4.0407 | 15.2905 | 56.446 | 14 | 0.4665 | -0.1692 | -0.1826 | 0.5172 | -0.1998 | 0.3971 | -0.0467 | -0.3293 | 0.1437 | 0.294 | 0.1085 | -0.1371 | -0.0002 | 0.2195 | -0.0174 | 0.5397 | -0.0049 | -0.0262 | 0.3038 | -0.1169 | 0.102 | 5.5945 | 11.5875 | 64.6966 | 15 | 0.1861 | -0.0752 | -0.062 | 3.306 | 0.4088 | 0.5649 | -0.048 | -0.1282 | 0.0132 | 0.43 | 0.0446 | 0.092 | 0.0896 | 0.0156 | -0.0074 | 0.5772 | 0.0063 | 0.061 | 0.2234 | -0.0239 | 0.0714 | -5.8258 | 5.3368 | 64.2131 | 16 | 0.2751 | 0.097 | 0.0215 | 0.3443 | -0.1496 | 0.8229 | 0.0478 | -0.1623 | -0.0381 | 0.2716 | -0.0157 | -0.0247 | 0.0927 | 0.1025 | 0.0221 | 0.3657 | 0.0459 | 0.0125 | 0.1849 | -0.0098 | 0.0181 | 4.1972 | -2.9621 | 52.2539 | 17 | 1.3238 | -0.4544 | -0.3062 | 1.3486 | 0.0165 | 1.1438 | -0.06 | -0.1482 | 0.1237 | 0.265 | 0.0466 | -0.082 | -0.0222 | 0.0917 | 0.0259 | 0.2139 | 0.0154 | -0.0049 | 0.135 | -0.0112 | 0.046 | 3.9702 | 4.2627 | 45.0185 | 18 | 0.8319 | 0.3503 | 1.0218 | 0.71 | 0.0716 | 1.4807 | 0.1245 | 0.1535 | -0.0298 | 0.2103 | -0.1259 | -0.6202 | 0.261 | 0.6409 | -0.0249 | 0.1941 | 0.0557 | -0.0915 | 0.3734 | -0.0198 | 0.2714 | 25.4861 | 9.0225 | 38.7002 | 19 | 1.56 | -0.4595 | -0.0175 | 1.0205 | -0.3179 | 0.8096 | -0.0452 | -0.1433 | 0.1731 | 0.21 | 0.0118 | -0.0962 | -0.0363 | 0.0817 | -0.0042 | 0.1767 | 0.0072 | -0.0023 | 0.1381 | -0.0145 | 0.0879 | 4.8471 | 13.4976 | 40.6243 | 20 | 1.0186 | -0.1625 | 0.2642 | 1.7132 | -0.1468 | 0.9381 | 0.011 | -0.0003 | -0.2372 | -0.126 | 0.0943 | 0.075 | 0.36 | -0.003 | 0.0103 | 0.4376 | -0.0007 | 0.0175 | 0.0776 | 0.0226 | 0.205 | 1.3564 | -28.979 | 30.6302 | 21 | 0.3019 | 0.0337 | 0.1237 | 0.8727 | 0.2496 | 0.8634 | 0.0057 | -0.0107 | -0.2028 | -0.0641 | 0.054 | 0.153 | 0.4229 | -0.0733 | 0.0443 | 0.6048 | -0.0349 | -0.0026 | 0.1162 | 0.0601 | 0.2132 | -1.336 | -34.2439 | 36.8569 | 22 | 0.919 | -0.6275 | -0.7407 | 2.3473 | 1.3895 | 3.1318 | -0.0269 | -0.0684 | -0.3012 | 0.0326 | -0.0902 | -0.0972 | 0.4292 | 0.0997 | 0.0329 | 0.4443 | 0.0804 | 0.039 | 0.1607 | 0.0948 | 0.254 | 10.1004 | -31.1716 | 43.4305 | 23 | 0.2787 | 0.3144 | 0.2039 | 0.8302 | -0.2436 | 0.8304 | -0.0124 | -0.0447 | -0.1531 | 0.195 | -0.0179 | -0.0015 | 0.1791 | -0.0169 | -0.0143 | 0.2331 | 0.0221 | 0.0204 | 0.1118 | 0.0231 | 0.0815 | 3.3125 | -14.3192 | 40.1615 | 24 | 2.2207 | 0.2256 | 0.5346 | 1.6936 | -0.2323 | 1.5475 | -0.0415 | -0.0566 | -0.0474 | 0.003 | 0.0306 | 0.1046 | 0.297 | -0.0706 | -0.0065 | 0.2146 | 0.0027 | 0.0137 | 0.0621 | 0.0204 | 0.0581 | 0.0819 | -15.487 | 29.7291 | 25 | 0.4865 | -1.1848 | 0.6685 | 3.1203 | -1.4036 | 1.137 | -0.0636 | -0.1891 | -0.1851 | 0.2227 | 0.0363 | 0.6209 | 0.2187 | -0.4809 | -0.0238 | 0.2339 | -0.051 | 0.1141 | 0.3825 | 0.1182 | 0.6683 | -24.1712 | -12.6908 | 31.3455 | 26 | 1.346 | 0.1083 | 0.0909 | 1.4369 | -0.1952 | 1.2488 | 0.0252 | 0.0438 | -0.134 | 0.0298 | 0.0476 | 0.1518 | 0.2285 | -0.0647 | -0.0161 | 0.1538 | -0.0191 | 0.0044 | 0.0928 | 0.0107 | 0.061 | -3.1385 | -12.1417 | 24.4252 | 27 | 1.1471 | -0.2496 | -0.0533 | 1.9332 | 0.1048 | 1.5042 | 0.004 | -0.1772 | -0.5491 | 0.1321 | 0.1111 | 0.2048 | 0.2349 | -0.0835 | -0.2058 | 0.3227 | 0.017 | -0.017 | 0.4283 | 0.2004 | 0.6778 | 39.0472 | 27.3698 | 48.7841 | 28 | 2.2646 | -3.4301 | -0.3474 | 5.2511 | 0.7518 | 0.969 | 0.1335 | -0.1164 | -0.8001 | 0.0043 | 0.0193 | 0.1477 | 0.2918 | -0.02 | -0.1714 | 0.3585 | -0.0237 | -0.0074 | 0.4431 | 0.3085 | 0.8799 | 32.0401 | 20.2155 | 49.9924 | 29 | 1.654 | -1.106 | 0.4977 | 1.7187 | -0.0415 | 0.3945 | -0.0131 | -0.2389 | -0.2531 | 0.254 | 0.1183 | 0.2258 | 0.0246 | -0.1179 | -0.0923 | 0.2547 | 0.0346 | 0.1001 | 0.5148 | 0.2028 | 0.7609 | 29.0392 | 34.7887 | 51.7312 | 30 | 0.6932 | 0.0292 | 0.3114 | 0.8437 | -0.0555 | 0.9009 | 0.0299 | -0.1197 | -0.3317 | 0.0124 | 0.1024 | 0.1672 | 0.0891 | -0.0408 | -0.1482 | 0.1762 | 0.0256 | -0.0146 | 0.3071 | 0.0343 | 0.5854 | 38.8487 | 39.6002 | 37.4762 | 31 | 1.5998 | -0.553 | -0.714 | 4.3119 | -1.8117 | 1.3465 | 0.156 | 0.1959 | -0.7791 | -0.3881 | 0.1141 | 0.053 | 0.4017 | -0.071 | -0.2421 | 0.2617 | 0.0063 | -0.0961 | 0.385 | -0.1157 | 0.6984 | 50.2599 | 25.2271 | 25.3642 | 32 | 2.9917 | -2.239 | 0.1819 | 2.3211 | -0.906 | 0.9759 | -0.0531 | -0.0648 | -0.1786 | -0.0201 | 0.0987 | 0.3981 | 0.0813 | -0.0933 | -0.0244 | 0.2533 | 0.0064 | -0.0484 | 0.3622 | 0.0997 | 0.6301 | 49.3186 | 28.7159 | 43.6057 | 33 | 0.0936 | 0.0612 | -0.0803 | 0.7745 | 0.4213 | 0.4956 | 0.0512 | -0.0606 | -0.2687 | 0.1195 | 0.1123 | -0.0824 | 0.1256 | 0.0697 | -0.1452 | 0.2362 | 0.0667 | -0.0985 | 0.3358 | -0.0766 | 0.7421 | 52.8983 | 37.325 | 38.3377 | 34 | 2.0892 | -0.4199 | -0.2174 | 1.1619 | 0.1247 | 1.4023 | 0.0161 | -0.2777 | 0.0764 | 0.1236 | 0.0092 | -0.1165 | -0.0037 | 0.015 | -0.0213 | 0.3125 | 0.0562 | -0.158 | 0.3757 | -0.061 | 0.9811 | 72.9973 | 29.6642 | 46.7635 | 35 | 3.9443 | -0.761 | -2.3752 | 0.9427 | 0.7762 | 1.5647 | 0.2298 | -0.5371 | 0.0516 | 0.0303 | 0.0054 | 0.3463 | 0.1437 | 0.108 | -0.2203 | 0.4903 | 0.0328 | -0.3272 | 0.5858 | -0.0747 | 1.0635 | 81.6433 | 29.1492 | 52.5639 | 36 | 0.6037 | 0.2343 | -0.052 | 0.1146 | 0.0369 | 0.1433 | 0.0541 | -0.0412 | 0.0159 | 0.0527 | -0.0031 | -0.2055 | 0.0181 | 0.0831 | -0.0136 | 0.1371 | 0.0474 | -0.0541 | 0.3696 | -0.06 | 1.0857 | 78.3265 | 37.4484 | 35.019 | 37 | 0.6143 | 0.1658 | 0.03 | 0.0822 | 0.0593 | 0.292 | -0.017 | 0.0147 | -0.013 | 0.0341 | 0.0223 | -0.2202 | 0.0454 | 0.1119 | -0.0826 | 0.1409 | 0.0478 | 0.017 | 0.2913 | -0.0726 | 0.8221 | 66.7536 | 38.2843 | 31.9074 | 38 | 0.9381 | 0.135 | -0.3024 | 0.7612 | -0.1042 | 0.1323 | 0.0051 | -0.2794 | 0.2637 | 0.1759 | -0.1578 | -0.1627 | -0.0478 | 0.0513 | 0.1226 | 0.2363 | 0.0189 | -0.0638 | 0.4092 | -0.0941 | 0.8028 | 67.185 | 42.7761 | 44.4505 | 39 | 0.6394 | 1.5213 | 0.5354 | 4.6864 | 1.2565 | 0.6086 | 0.0826 | -0.0679 | -0.2541 | 0.0959 | -0.067 | -0.2294 | 0.0301 | -0.0484 | 0.0052 | 0.2829 | 0.0396 | -0.0647 | 0.3794 | -0.1497 | 0.7303 | 61.4631 | 55.3232 | 51.2 | 40 | 0.7774 | 0.1435 | -0.029 | 0.6719 | 0.2588 | 0.2103 | 0.0504 | -0.174 | 0.084 | 0.0906 | 0.0339 | -0.3954 | -0.01 | 0.0279 | -0.0083 | 0.1797 | 0.0494 | -0.066 | 0.3288 | -0.0306 | 0.7313 | 58.7462 | 36.8855 | 41.4967 | 41 | 2.4048 | -0.3372 | 0.0588 | 2.8005 | 0.0989 | 1.6216 | 0.086 | 0.5366 | 0.197 | -0.3835 | -0.102 | -0.3339 | -0.2016 | 0.1754 | -0.0247 | 0.5433 | -0.0277 | 0.365 | 0.6402 | 0.1704 | 0.9764 | 68.7352 | 62.6846 | 9.3453 | 42 | 0.9722 | -0.8441 | 0.4012 | 1.0467 | -0.3196 | 0.1692 | 0.1398 | 0.5143 | 0.2595 | -0.2345 | -0.0186 | -0.2541 | -0.1893 | 0.2589 | -0.1262 | 0.4923 | 0.0787 | 0.3957 | 0.7928 | 0.2102 | 0.9502 | 72.5078 | 60.2063 | 6.9724 | 43 | 1.7594 | 0.1928 | -0.5528 | 0.3698 | 0.053 | 0.82 | 0.0441 | 0.2609 | 0.1145 | 0.0856 | 0.3363 | 0.3843 | -0.3398 | -0.0963 | -0.3816 | 0.4999 | -0.0262 | 0.3225 | 0.6658 | 0.145 | 1.1058 | 80.5884 | 65.7313 | 15.7423 | 44 | 0.4115 | -0.2117 | -0.0037 | 0.1171 | 0.0529 | 0.3166 | 0.0699 | 0.377 | 0.1622 | -0.1795 | -0.0136 | -0.2733 | -0.0757 | 0.1484 | -0.0733 | 0.2365 | 0.0347 | 0.1879 | 0.434 | 0.0202 | 0.9329 | 69.9164 | 51.9982 | 21.5709 | 45 | 1.0097 | 0.2833 | 0.2283 | 1.1837 | -0.4399 | 0.2814 | 0.0757 | 0.5048 | -0.0562 | -0.278 | -0.0809 | -0.2895 | 0.0068 | 0.2112 | 0.0129 | 0.3159 | 0.0684 | 0.241 | 0.4825 | 0.0009 | 0.8413 | 60.4977 | 52.0531 | 14.9264 | 46 | 0.2245 | -0.4755 | 0.1962 | 1.3583 | -0.3681 | 0.1761 | 0.1779 | 0.5355 | 0.1171 | -0.441 | -0.1413 | -0.0656 | -0.0496 | 0.1418 | -0.0121 | 0.3936 | 0.1052 | 0.1974 | 0.4809 | 0.0349 | 0.7772 | 54.5996 | 51.783 | 10.2897 | 47 | 0.5215 | 0.1319 | 0.2687 | 0.4089 | 0.2673 | 0.6049 | 0.1291 | 0.432 | 0.0707 | -0.1814 | -0.11 | -0.1572 | -0.0356 | 0.1053 | -0.0033 | 0.2394 | 0.0488 | 0.1151 | 0.3766 | 0.0134 | 0.6989 | 54.1626 | 54.3946 | 20.1297 | 48 | 1.445 | 0.7025 | -0.8152 | 0.3518 | -0.3988 | 0.4615 | 0.0287 | 0.2497 | 0.0334 | -0.3397 | -0.0572 | 0.0497 | -0.0718 | -0.1481 | 0.0215 | 0.3368 | 0.0562 | 0.0178 | 0.372 | 0.0166 | 0.3809 | 34.7774 | 63.7462 | 13.47 | 49 | 1.0866 | -0.7164 | -0.0401 | 1.3303 | 0.3585 | 1.5648 | 0.149 | 0.1424 | 0.1827 | -0.24 | -0.0692 | -0.0584 | -0.183 | 0.0441 | -0.0651 | 0.2875 | 0.0868 | 0.0264 | 0.2658 | 0.032 | 0.51 | 34.3948 | 67.4347 | 17.6961 | 50 | 0.6491 | -0.3265 | -0.1009 | 0.9778 | -0.3588 | 0.6441 | 0.0663 | 0.0753 | 0.002 | -0.177 | -0.0173 | 0.2036 | -0.0514 | -0.1036 | -0.065 | 0.2423 | 0.0749 | -0.0326 | 0.3193 | -0.0087 | 0.4767 | 28.2116 | 61.4373 | 22.2859 | 51 | 0.7342 | -0.2075 | 0.0362 | 0.9914 | -0.0412 | 0.6395 | 0.1167 | 0.0009 | -0.0504 | -0.1553 | -0.0199 | 0.1231 | -0.0332 | -0.0087 | -0.0368 | 0.1698 | 0.0488 | -0.0115 | 0.2692 | -0.0311 | 0.4859 | 36.1688 | 50.8358 | 25.2253 | 52 | 0.8434 | 0.3454 | 0.4728 | 1.6461 | 0.3017 | 0.9603 | 0.121 | 0.097 | 0.1374 | -0.1289 | -0.1919 | -0.0354 | -0.0457 | -0.0646 | 0.0505 | 0.2255 | 0.0638 | -0.0374 | 0.4007 | -0.0261 | 0.5297 | 43.4649 | 58.9992 | 23.4162 | 53 | 0.9892 | -0.0896 | -1.5102 | 4.8507 | 0.4084 | 2.3588 | 0.0153 | -0.1577 | 0.0786 | 0.1314 | -0.0163 | -0.0893 | -0.2031 | -0.0669 | -0.0533 | 0.359 | 0.0837 | -0.0092 | 0.5585 | -0.1359 | 0.6647 | 46.5044 | 74.7369 | 42.3623 | 54 | 1.1083 | -0.119 | 0.0587 | 1.4093 | 0.2887 | 0.4698 | 0.0571 | 0.0123 | 0.173 | -0.0633 | -0.0353 | -0.2918 | -0.0857 | 0.0734 | -0.0147 | 0.2164 | 0.0454 | 0.067 | 0.3281 | 0.0523 | 0.6266 | 48.973 | 66.1896 | 26.2618 | 55 | 0.575 | -0.0917 | 0.3248 | 0.9696 | 0.3758 | 0.3738 | 0.1483 | 0.1323 | 0.0565 | -0.1717 | -0.0867 | -0.2305 | -0.016 | 0.2039 | -0.026 | 0.2304 | 0.0636 | 0.0639 | 0.3734 | -0.0089 | 0.6009 | 50.5729 | 55.6553 | 21.9124 |
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Refinement TLS group | ID | Refine-ID | Refine TLS-ID | Selection details | Auth asym-ID | Auth seq-ID |
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1 | X-RAY DIFFRACTION | 1 | chain 'A' and (resid 1 through 16 )A0 | 2 | X-RAY DIFFRACTION | 2 | chain 'A' and (resid 17 through 39 )A0 | 3 | X-RAY DIFFRACTION | 3 | chain 'A' and (resid 40 through 66 )A0 | 4 | X-RAY DIFFRACTION | 4 | chain 'A' and (resid 67 through 81 )A0 | 5 | X-RAY DIFFRACTION | 5 | chain 'A' and (resid 82 through 103 )A0 | 6 | X-RAY DIFFRACTION | 6 | chain 'A' and (resid 104 through 129 )A0 | 7 | X-RAY DIFFRACTION | 7 | chain 'A' and (resid 130 through 177 )A0 | 8 | X-RAY DIFFRACTION | 8 | chain 'A' and (resid 178 through 200 )A0 | 9 | X-RAY DIFFRACTION | 9 | chain 'A' and (resid 201 through 228 )A0 | 10 | X-RAY DIFFRACTION | 10 | chain 'A' and (resid 229 through 261 )A0 | 11 | X-RAY DIFFRACTION | 11 | chain 'B' and (resid 2 through 177 )B0 | 12 | X-RAY DIFFRACTION | 12 | chain 'B' and (resid 178 through 261 )B0 | 13 | X-RAY DIFFRACTION | 13 | chain 'C' and (resid 1 through 39 )C | | | | | | | | | | | | | | | | | | | | | | | | | |
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