Software | Name | Version | Classification |
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PHENIX | (1.15.2_3472: ???)refinementxia2 | | data reductionxia2 | | data scalingPHASER | | phasing | | | | |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.519→30.352 Å / SU ML: 0.39 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.21 / Stereochemistry target values: ML
| Rfactor | Num. reflection | % reflection | Selection details |
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Rfree | 0.2218 | 4865 | 4.9 % | 4.9% |
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Rwork | 0.1736 | - | - | - |
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obs | 0.1772 | 99368 | 99.82 % | - |
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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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Refinement step | Cycle: LAST / Resolution: 2.519→30.352 Å
| Protein | Nucleic acid | Ligand | Solvent | Total |
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Num. atoms | 19084 | 0 | 24 | 593 | 19701 |
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Refine LS restraints | Refine-ID | Type | Dev ideal | Number |
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X-RAY DIFFRACTION | f_bond_d0.008 | 19412 | X-RAY DIFFRACTION | f_angle_d0.965 | 26375 | X-RAY DIFFRACTION | f_dihedral_angle_d5.869 | 11697 | X-RAY DIFFRACTION | f_chiral_restr0.052 | 3117 | X-RAY DIFFRACTION | f_plane_restr0.006 | 3466 | | | | | |
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LS refinement shell | Resolution (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Refine-ID | % reflection obs (%) |
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2.519-2.5477 | 0.3336 | 175 | 0.2697 | 3137 | X-RAY DIFFRACTION | 100 | 2.5477-2.5776 | 0.3451 | 168 | 0.263 | 3119 | X-RAY DIFFRACTION | 99 | 2.5776-2.609 | 0.3513 | 176 | 0.2645 | 3113 | X-RAY DIFFRACTION | 100 | 2.609-2.642 | 0.3588 | 161 | 0.252 | 3100 | X-RAY DIFFRACTION | 100 | 2.642-2.6768 | 0.3433 | 171 | 0.253 | 3147 | X-RAY DIFFRACTION | 100 | 2.6768-2.7134 | 0.2968 | 189 | 0.227 | 3076 | X-RAY DIFFRACTION | 100 | 2.7134-2.7522 | 0.3193 | 155 | 0.2285 | 3173 | X-RAY DIFFRACTION | 100 | 2.7522-2.7932 | 0.3341 | 165 | 0.2095 | 3094 | X-RAY DIFFRACTION | 100 | 2.7932-2.8368 | 0.3483 | 173 | 0.2179 | 3132 | X-RAY DIFFRACTION | 100 | 2.8368-2.8833 | 0.2965 | 168 | 0.2247 | 3141 | X-RAY DIFFRACTION | 100 | 2.8833-2.933 | 0.3035 | 168 | 0.2143 | 3147 | X-RAY DIFFRACTION | 100 | 2.933-2.9863 | 0.3231 | 145 | 0.2275 | 3164 | X-RAY DIFFRACTION | 100 | 2.9863-3.0437 | 0.305 | 159 | 0.2211 | 3134 | X-RAY DIFFRACTION | 100 | 3.0437-3.1057 | 0.2903 | 181 | 0.2178 | 3110 | X-RAY DIFFRACTION | 100 | 3.1057-3.1732 | 0.3033 | 176 | 0.216 | 3148 | X-RAY DIFFRACTION | 100 | 3.1732-3.2469 | 0.3111 | 156 | 0.2037 | 3153 | X-RAY DIFFRACTION | 100 | 3.2469-3.328 | 0.2791 | 169 | 0.1915 | 3110 | X-RAY DIFFRACTION | 100 | 3.328-3.4179 | 0.2761 | 163 | 0.1903 | 3170 | X-RAY DIFFRACTION | 100 | 3.4179-3.5183 | 0.2463 | 163 | 0.1899 | 3152 | X-RAY DIFFRACTION | 100 | 3.5183-3.6317 | 0.2616 | 145 | 0.1838 | 3153 | X-RAY DIFFRACTION | 100 | 3.6317-3.7613 | 0.2601 | 172 | 0.1762 | 3140 | X-RAY DIFFRACTION | 100 | 3.7613-3.9116 | 0.2236 | 165 | 0.1513 | 3167 | X-RAY DIFFRACTION | 100 | 3.9116-4.0892 | 0.1826 | 152 | 0.1458 | 3183 | X-RAY DIFFRACTION | 100 | 4.0892-4.3042 | 0.2315 | 138 | 0.1343 | 3187 | X-RAY DIFFRACTION | 100 | 4.3042-4.573 | 0.1594 | 146 | 0.1205 | 3173 | X-RAY DIFFRACTION | 100 | 4.573-4.9248 | 0.1984 | 138 | 0.1205 | 3188 | X-RAY DIFFRACTION | 100 | 4.9248-5.4178 | 0.195 | 157 | 0.1366 | 3192 | X-RAY DIFFRACTION | 100 | 5.4178-6.196 | 0.2376 | 168 | 0.1606 | 3170 | X-RAY DIFFRACTION | 100 | 6.196-7.7845 | 0.2097 | 140 | 0.1567 | 3235 | X-RAY DIFFRACTION | 100 | 7.7845-30.352 | 0.1916 | 163 | 0.1463 | 3195 | X-RAY DIFFRACTION | 98 |
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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 | 0.318 | 0.1241 | -0.2725 | 0.3555 | -0.3887 | 0.3464 | 0.3547 | 0.1622 | 0.424 | -0.39 | -0.406 | 0.0008 | -0.6552 | 0.0779 | -0.0009 | 0.739 | 0.0066 | 0.1831 | 0.3204 | 0.03 | 0.6639 | -5.8071 | -33.9625 | 7.7333 | 2 | 1.0138 | 0.7252 | -1.0021 | 0.1956 | -0.7907 | 0.8122 | 0.1585 | 0.011 | 0.1134 | -0.0126 | 0.0181 | 0.0387 | -0.2277 | 0.1086 | -0 | 0.3976 | -0.005 | 0.0374 | 0.3186 | -0.0134 | 0.4387 | -11.5873 | -50.816 | 14.8352 | 3 | 0.9855 | -0.02 | -0.6667 | 0.589 | 0.0428 | 1.1759 | 0.0961 | -0.0323 | 0.0285 | 0.1363 | 0.0428 | 0.0441 | -0.0953 | -0.0064 | 0 | 0.3403 | -0.0225 | 0.0338 | 0.3019 | -0.0047 | 0.4048 | -15.9615 | -51.2353 | 22.0867 | 4 | 0.3335 | 0.2922 | -0.0274 | 0.1882 | -0.1458 | 0.1695 | 0.0267 | 0.353 | 0.2758 | 0.4294 | 0.439 | 0.0402 | 0.4908 | -0.2569 | 0.0019 | 0.3913 | -0.0077 | -0.0575 | 0.6577 | 0.159 | 0.5092 | -38.1086 | -66.4669 | -18.4803 | 5 | 0.3557 | -0.0902 | -0.088 | 0.0411 | -0.0792 | 0.2259 | 0.405 | 0.4376 | 0.3525 | 0.4664 | -0.2598 | -0.2008 | 0.4963 | -0.683 | 0.0009 | 0.3414 | 0.037 | -0.075 | 0.7666 | 0.1362 | 0.559 | -48.1628 | -66.8124 | -14.6871 | 6 | 0.4913 | -0.3021 | 0.1732 | 0.2077 | -0.2998 | 0.4001 | 0.1897 | 0.2228 | -0.0828 | 0.0704 | 0.0204 | -0.1053 | -0.0533 | -0.0859 | 0.0001 | 0.2873 | 0.0256 | -0.0449 | 0.5312 | 0.0707 | 0.382 | -37.5347 | -73.5486 | -7.2415 | 7 | 0.6277 | 0.0294 | -0.1618 | 0.5445 | -0.1328 | 1.4565 | 0.0534 | 0.1605 | 0.0914 | 0.0558 | -0.0007 | -0.0005 | -0.0565 | -0.0188 | 0 | 0.2413 | 0.0093 | -0.0448 | 0.3794 | 0.0814 | 0.335 | -35.5012 | -70.4565 | 1.0738 | 8 | 0.2584 | -0.1865 | 0.0548 | 0.1854 | 0.1619 | 0.2719 | -0.0791 | 0.1462 | -0.0155 | 0.0204 | -0.0251 | 0.3133 | 0.1516 | 0.7044 | 0.0001 | 0.3808 | -0.0277 | -0.0275 | 0.5031 | 0.1032 | 0.434 | -30.2374 | -78.6324 | 16.6656 | 9 | 0.8974 | -0.2063 | -0.2199 | 0.6002 | -0.7523 | 0.854 | 0.0489 | 0.0097 | 0.0564 | 0.0469 | 0.0716 | 0.0072 | -0.1726 | 0.0457 | -0 | 0.2983 | -0.0197 | -0.0162 | 0.3407 | 0.0544 | 0.3861 | -38.5182 | -72.2448 | 8.258 | 10 | 0.0961 | 0.0344 | 0.0883 | 0.0776 | -0.1026 | 0.0879 | -0.2952 | -1.1351 | -0.0522 | 1.0164 | 0.2532 | 0.1288 | -0.9001 | 0.34 | 0.0009 | 0.8592 | 0.0668 | -0.0696 | 1.0807 | -0.3363 | 0.7718 | -9.1564 | -50.8842 | 78.7876 | 11 | 0.6019 | -0.3534 | -0.6212 | 1.0249 | -0.0182 | 0.8901 | -0.0891 | -0.3164 | 0.0711 | 0.1478 | 0.2142 | 0.0878 | -0.0178 | 0.1973 | 0.0002 | 0.5325 | -0.0062 | 0.0263 | 0.5464 | -0.1052 | 0.3505 | -15.8427 | -62.6319 | 64.1398 | 12 | 0.2088 | -0.1084 | 0.0636 | 0.4886 | -0.0996 | -0.0199 | -0.1542 | -0.0073 | 0.3453 | 0.0935 | 0.3931 | -0.2548 | -0.0685 | 0.6557 | 0.0015 | 0.5422 | -0.0513 | -0.0306 | 0.753 | -0.26 | 0.4712 | -8.0213 | -55.6393 | 69.0234 | 13 | 0.4823 | 0.291 | 0.1383 | 0.8436 | -0.1034 | -0.0453 | 0.0692 | -0.1339 | 0.1488 | 0.0766 | 0.0502 | 0.0231 | -0.0439 | 0.1543 | -0.0001 | 0.4621 | -0.0299 | 0.0318 | 0.4173 | -0.0583 | 0.3783 | -13.2235 | -63.4199 | 53.7484 | 14 | 0.4701 | -0.3821 | -0.4139 | 0.268 | 0.2708 | 0.238 | 0.045 | 0.178 | -0.2642 | -0.1464 | 0.2921 | -0.3218 | -0.3054 | -0.2587 | 0.0006 | 0.4438 | 0.0085 | -0.0135 | 0.6203 | -0.0624 | 0.3786 | 30.8093 | -66.8795 | 28.8372 | 15 | 0.3649 | -0.1706 | -0.4068 | 0.1366 | 0.1578 | 0.7137 | -0.2855 | -0.3604 | 0.0491 | -0.1884 | 0.3873 | 0.256 | 0.4653 | 0.9541 | -0.0066 | 0.2548 | -0.1509 | -0.2433 | 0.9025 | -0.126 | 0.3846 | 30.3457 | -63.7187 | 39.3494 | 16 | 0.4393 | 0.2859 | 0.003 | 0.3858 | -0.2137 | 0.0929 | -0.1151 | -0.1157 | 0.1165 | 0.2071 | 0.0464 | 0.1761 | 0.0507 | 0.2305 | -0.0001 | 0.3749 | -0.0133 | -0.033 | 0.4282 | -0.0888 | 0.282 | 17.9399 | -65.6176 | 30.8686 | 17 | 0.9458 | -0.0221 | -0.9452 | -0.1612 | -0.3217 | 0.4364 | -0.0573 | -0.1454 | 0.0345 | -0.0599 | 0.0472 | 0.02 | 0.0422 | 0.1963 | -0 | 0.385 | -0.0071 | -0.0309 | 0.3966 | -0.0604 | 0.3047 | 11.9026 | -72.0769 | 33.6637 | 18 | 0.0315 | -0.0482 | -0.034 | 0.0211 | 0.0725 | 0.1292 | -0.031 | 0.4348 | 0.091 | 0.4401 | -0.1661 | 0.0918 | 0.0132 | -0.5886 | 0.0001 | 0.4478 | 0.0263 | -0.011 | 0.5047 | -0.0975 | 0.5084 | -6.2499 | -73.1604 | 33.3071 | 19 | 0.6254 | -0.0528 | -0.209 | 0.5317 | 0.2428 | 0.392 | -0.0832 | -0.0954 | 0.057 | 0.0561 | 0.0474 | 0.0668 | -0.0169 | 0.0261 | 0.0001 | 0.3661 | -0.0066 | 0.0012 | 0.402 | -0.032 | 0.3158 | 5.642 | -71.724 | 38.7031 | 20 | 0.2095 | -0.2735 | -0.2029 | 0.3517 | 0.3847 | 0.5 | 0.1625 | 0.1757 | -0.4467 | -0.1412 | -0.1741 | -0.2796 | 0.3728 | 0.3797 | 0.0001 | 0.606 | 0.1654 | -0.0529 | 0.4758 | 0.0782 | 0.4482 | 17.0308 | -118.5631 | 23.5589 | 21 | 0.3668 | 0.2071 | -0.0476 | 0.6931 | -0.2161 | 0.0948 | -0.1054 | -0.2168 | 0.0953 | 0.132 | -0.2017 | -0.2191 | 0.0236 | -0.1733 | -0.0001 | 0.4497 | 0.0923 | -0.0754 | 0.4581 | 0.0118 | 0.3243 | 11.2005 | -106.7811 | 26.1523 | 22 | 0.2343 | 0.0012 | -0.6816 | 0.6366 | 0.4848 | 0.732 | 0.0011 | -0.0387 | -0.0399 | 0.022 | -0.038 | 0.0336 | 0.1431 | 0.0992 | 0 | 0.4124 | 0.0526 | -0.0349 | 0.4048 | 0.0373 | 0.3527 | 2.0604 | -105.6304 | 26.7444 | 23 | 0.5141 | -0.3649 | -0.9387 | 0.1178 | 0.3506 | 1.5552 | -0.0073 | -0.009 | -0.0239 | 0.1626 | 0.0027 | -0.0695 | -0.1405 | 0.0204 | 0.0001 | 0.4179 | 0.0766 | -0.0629 | 0.3963 | 0.0225 | 0.3313 | -3.3903 | -101.5204 | 32.6859 | 24 | 0.1846 | -0.3845 | 0.1242 | 0.6361 | 0.1084 | 1.1403 | -0.4019 | 0.6785 | -0.0756 | 0.0664 | 0.0124 | -0.1286 | 0.4683 | -0.5462 | -0.0004 | 0.6184 | -0.1895 | -0.0086 | 0.5139 | -0.0669 | 0.5355 | -27.8392 | -118.6735 | -7.5989 | 25 | 0.6939 | -0.2494 | -0.4965 | 0.5949 | 0.4975 | 0.4562 | -0.2299 | 0.1788 | -0.1719 | 0.3825 | -0.0372 | 0.0698 | -0.039 | 0.0612 | -0.0003 | 0.4641 | -0.0451 | 0.0155 | 0.3902 | -0.0005 | 0.4094 | -23.1316 | -111.7404 | 2.3702 | 26 | 1.0492 | 0.3463 | -0.3455 | 0.1312 | 1.013 | 2.2071 | -0.1063 | 0.1095 | -0.0483 | -0.0346 | -0.0306 | 0.0044 | 0.0574 | -0.1127 | 0 | 0.3001 | -0.0216 | -0.042 | 0.2478 | 0.0268 | 0.3297 | -27.1119 | -104.5768 | 6.6359 | 27 | 1.2103 | 0.1034 | -0.6632 | 0.437 | 0.0468 | 0.9011 | 0.0028 | 0.0186 | 0.0366 | -0.0671 | 0.0157 | 0.023 | 0.0622 | -0.0142 | 0.0001 | 0.2569 | -0.0007 | -0.0393 | 0.263 | 0.0445 | 0.2658 | -28.8485 | -102.3461 | 15.2885 | 28 | 0.2612 | -0.1332 | -0.4503 | 0.2192 | 0.6304 | 2.1566 | 0.6552 | 0.1744 | 0.7185 | 0.6416 | -0.5383 | 0.3267 | 0.44 | -0.9543 | 0.0776 | 0.8228 | 0.1137 | 0.3165 | 0.4009 | 0.0504 | 0.925 | -57.6671 | -39.623 | 50.7584 | 29 | 0.0826 | 0.0928 | -0.1009 | 0.1388 | -0.1279 | 0.1538 | 0.4049 | -0.0348 | -0.1412 | -0.323 | 0.0965 | 0.147 | -0.294 | -0.2136 | 0.0016 | 0.864 | 0.0863 | 0.3253 | 0.5232 | 0.0017 | 0.873 | -52.3282 | -33.0994 | 47.345 | 30 | 0.8438 | -0.7775 | -0.3207 | 0.8871 | 0.014 | 0.3333 | 0.0921 | -0.1018 | 0.0786 | 0.273 | 0.1409 | 0.1451 | -0.2255 | -0.0274 | -0.001 | 0.5209 | 0.0238 | 0.1996 | 0.3086 | 0.0495 | 0.4425 | -46.9657 | -48.987 | 45.3843 | 31 | 0.7464 | -0.398 | -0.201 | 0.3994 | 0.3662 | 0.2814 | 0.2077 | -0.0465 | 0.0871 | 0.2635 | 0.0095 | 0.1642 | -0.1996 | 0.1831 | 0.0014 | 0.4916 | -0.0131 | 0.1444 | 0.2806 | 0.0303 | 0.4855 | -41.0495 | -52.4792 | 44.5576 | 32 | 0.4044 | -0.0075 | 0.3034 | 0.6826 | 0.2658 | 0.7264 | 0.1148 | -0.0575 | 0.0918 | 0.0528 | 0.0909 | 0.0175 | -0.0229 | 0.0722 | -0.0001 | 0.3712 | -0.0001 | 0.0812 | 0.2975 | 0.04 | 0.4407 | -36.5783 | -56.0771 | 39.1534 | 33 | 0.1775 | 0.0443 | 0.2533 | -0.0008 | -0.0026 | 0.0977 | 0.1104 | 0.4775 | -0.0284 | -0.1272 | -0.1659 | -0.0267 | -0.1444 | 0.0892 | 0.0001 | 0.5228 | 0.0188 | -0.0352 | 0.4751 | 0.0539 | 0.5289 | -43.5505 | -58.6765 | 27.8707 | 34 | 0.1667 | -0.4811 | -0.0523 | 1.55 | -0.0417 | 0.2133 | -0.2919 | -0.0853 | -0.5249 | 0.5727 | 0.0823 | 0.9637 | 0.0879 | -0.514 | -0.0428 | 0.2977 | -0.0322 | -0.0595 | 0.6384 | 0.2295 | 0.9314 | -79.3154 | -85.2558 | 35.4379 | 35 | 0.2947 | -0.2289 | -0.0725 | 1.1319 | -0.3912 | 0.3972 | 0.1382 | -0.2654 | -0.0193 | 0.0138 | 0.0545 | 0.6729 | -0.231 | -0.6041 | 0.0724 | 0.2394 | 0.0407 | -0.0216 | 0.6798 | 0.1667 | 0.7574 | -75.663 | -80.7655 | 34.9266 | 36 | 0.9071 | -0.0331 | -0.4055 | 0.2334 | 0.022 | 0.1437 | -0.1194 | 0.0022 | 0.0631 | -0.1881 | 0.4047 | 0.3295 | 0.0112 | -0.3307 | -0 | 0.4128 | 0.0328 | 0.0031 | 0.4819 | 0.1393 | 0.5745 | -62.1118 | -78.2841 | 32.1325 | 37 | 0.665 | 0.2692 | 0.009 | 0.9691 | 0.1025 | 0.0158 | -0.0444 | -0.097 | -0.0828 | -0.004 | 0.2009 | 0.086 | -0.1308 | -0.1039 | 0.0001 | 0.307 | -0.0081 | 0.0056 | 0.3764 | 0.1255 | 0.4275 | -58.7962 | -83.5531 | 31.6486 | 38 | 0.509 | -0.1261 | 0.2371 | 0.7469 | 0.412 | 0.6082 | 0.0376 | 0.0624 | 0.0871 | 0.0192 | 0.1463 | 0.0561 | -0.1878 | -0.0112 | 0.0009 | 0.2241 | 0.0182 | -0.0162 | 0.2848 | 0.0884 | 0.3988 | -51.3824 | -80.6458 | 28.7985 | 39 | 0.2452 | -0.2988 | -0.1218 | 0.3143 | 0.1689 | 0.1221 | 0.1785 | -0.1605 | -0.337 | 0.0146 | -0.1428 | -0.048 | 0.18 | 0.0681 | -0.0001 | 0.2426 | 0.0158 | -0.085 | 0.3313 | 0.0166 | 0.4609 | -49.5353 | -92.9735 | 23.6223 | 40 | 0.2948 | 0.0189 | -0.0937 | 0.3777 | -0.1668 | 0.1097 | -0.1108 | -1.1167 | 0.1722 | 0.537 | -0.1284 | 0.3746 | -0.2664 | 0.8843 | -0.0054 | 0.5811 | 0.0593 | -0.0599 | 0.7063 | 0.0985 | 0.3616 | -9.1644 | -104.4787 | 82.7071 | 41 | 0.3246 | -0.3304 | 0.0473 | 0.3092 | -0.0512 | 0.0255 | 0.6122 | -0.8193 | -0.6039 | 0.1021 | -0.6239 | -0.5227 | 0.2217 | 0.5907 | -0.0131 | 0.7821 | 0.0419 | -0.1742 | 0.8814 | 0.1961 | 0.6221 | -4.1707 | -111.0763 | 78.5673 | 42 | 0.0058 | -0.0928 | -0.0502 | 0.0755 | 0.0661 | 0.0225 | -0.1326 | 0.1374 | -0.0284 | 0.5129 | 0.3316 | 0.2667 | -0.2312 | 0.5752 | -0.001 | 0.654 | 0.0997 | -0.0276 | 0.6978 | 0.1005 | 0.4098 | -16.4399 | -103.6986 | 77.4839 | 43 | 0.3689 | 0.2086 | 0.1939 | 0.2365 | -0.0872 | 0.3188 | 0.0197 | -0.047 | 0.0827 | -0.0509 | 0.1432 | 0.0258 | 0.4916 | 0.0662 | 0.0022 | 0.7552 | 0.1297 | 0.0322 | 0.5084 | 0.0919 | 0.4603 | -13.883 | -102.4521 | 63.2128 | 44 | 0.3837 | -0.1708 | 0.1018 | 0.1193 | 0.1817 | 0.6585 | 0.0289 | -0.239 | 0.0561 | -0.0003 | 0.0052 | 0.1954 | 0.1434 | 0.1361 | -0.0001 | 0.6065 | 0.022 | -0.0259 | 0.4922 | 0.0119 | 0.3055 | -11.1178 | -95.7623 | 65.9415 | 45 | 0.269 | 0.2979 | -0.0787 | 0.5115 | -0.3532 | 0.4215 | -0.1329 | -0.1829 | 0.0378 | 0.2162 | 0.0757 | 0.1517 | 0.1084 | 0.1136 | -0.0001 | 0.583 | 0.1136 | 0.0004 | 0.4777 | 0.0109 | 0.3168 | -16.5705 | -95.1312 | 59.4624 | 46 | 0.631 | 0.2774 | 0.2824 | 0.0841 | 0.0818 | 0.021 | -0.1303 | -0.3943 | -0.0743 | 0.1137 | 0.2892 | -0.0888 | 0.3218 | 0.0049 | -0.0004 | 0.4891 | 0.0986 | 0.0153 | 0.5972 | 0.0569 | 0.3407 | -6.2515 | -104.262 | 69.7676 | 47 | 0.6245 | 0.0484 | 0.7173 | 0.5501 | 0.2335 | 0.4751 | 0.0068 | -0.0396 | -0.055 | 0.1562 | 0.0024 | 0.0263 | -0.1133 | 0.0919 | 0 | 0.449 | 0.0738 | -0.0138 | 0.4338 | 0.0431 | 0.3144 | -10.7966 | -94.225 | 55.2193 | 48 | 0.5577 | 0.2054 | -0.2909 | 0.2955 | 0.0406 | 0.2795 | -0.5078 | -0.4486 | -0.6446 | 1.0389 | 0.395 | -0.0973 | 0.3989 | 0.1094 | 0.0005 | 0.9901 | -0.121 | 0.3267 | 0.2211 | 0.1333 | 0.6398 | -50.2409 | -127.4847 | 50.9259 | 49 | 0.3431 | 0.3759 | -0.0928 | 0.6102 | 0.0011 | 0.2356 | -0.2757 | -0.0893 | 0.0487 | 0.3866 | 0.0749 | 0.3516 | 0.1111 | -0.0251 | -0.0013 | 0.6899 | -0.0064 | 0.1487 | 0.418 | 0.0524 | 0.5552 | -47.4326 | -113.1843 | 46.7461 | 50 | 0.5433 | -0.4373 | -0.223 | 0.3372 | 0.0359 | 1.138 | -0.1733 | -0.1145 | -0.0946 | 0.2816 | 0.0899 | 0.1084 | 0.1523 | -0.0448 | 0 | 0.4517 | -0.0112 | 0.0529 | 0.3092 | 0.0796 | 0.3811 | -39.3031 | -110.8335 | 44.6257 | 51 | 0.6797 | -0.3498 | -0.1386 | 0.7629 | 0.1679 | 0.0195 | -0.0761 | 0.0022 | 0.0216 | 0.1171 | 0.0828 | 0.0117 | 0.2267 | -0.0254 | -0 | 0.3528 | 0.0137 | -0.0114 | 0.281 | 0.0394 | 0.3443 | -34.0783 | -106.4985 | 39.1292 |
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Refinement TLS group | ID | Refine-ID | Refine TLS-ID | Selection details |
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1 | X-RAY DIFFRACTION | 1 | chain 'A' and (resid -3 through 31 ) | 2 | X-RAY DIFFRACTION | 2 | chain 'A' and (resid 32 through 138 )3 | X-RAY DIFFRACTION | 3 | chain 'A' and (resid 139 through 260 )4 | X-RAY DIFFRACTION | 4 | chain 'B' and (resid -3 through 18 ) | 5 | X-RAY DIFFRACTION | 5 | chain 'B' and (resid 19 through 32 )6 | X-RAY DIFFRACTION | 6 | chain 'B' and (resid 33 through 75 )7 | X-RAY DIFFRACTION | 7 | chain 'B' and (resid 76 through 164 )8 | X-RAY DIFFRACTION | 8 | chain 'B' and (resid 165 through 179 )9 | X-RAY DIFFRACTION | 9 | chain 'B' and (resid 180 through 260 )10 | X-RAY DIFFRACTION | 10 | chain 'F' and (resid 3 through 30 )11 | X-RAY DIFFRACTION | 11 | chain 'F' and (resid 31 through 135 )12 | X-RAY DIFFRACTION | 12 | chain 'F' and (resid 136 through 161 )13 | X-RAY DIFFRACTION | 13 | chain 'F' and (resid 162 through 255 )14 | X-RAY DIFFRACTION | 14 | chain 'C' and (resid -4 through 18 ) | 15 | X-RAY DIFFRACTION | 15 | chain 'C' and (resid 19 through 31 )16 | X-RAY DIFFRACTION | 16 | chain 'C' and (resid 32 through 75 )17 | X-RAY DIFFRACTION | 17 | chain 'C' and (resid 76 through 164 )18 | X-RAY DIFFRACTION | 18 | chain 'C' and (resid 165 through 179 )19 | X-RAY DIFFRACTION | 19 | chain 'C' | | | | | | | | | | | | | | | |
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