Software | Name | Version | Classification |
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PHENIX | (phenix.refine: dev_1702)refinementXSCALE | | data scalingXDS | 2.5.2data scalingPDB_EXTRACT | 3.14 | data extractionPHASER | | phasing | | | | | | |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2G4R Resolution: 1.85→42.992 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.99 / Phase error: 21.65 / Stereochemistry target values: ML
| Rfactor | Num. reflection | % reflection |
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Rfree | 0.2108 | 3710 | 5.02 % |
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Rwork | 0.1739 | 70233 | - |
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obs | 0.1759 | 73943 | 97.71 % |
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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: 110.76 Å2 / Biso mean: 29.1421 Å2 / Biso min: 10.46 Å2 |
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Refinement step | Cycle: final / Resolution: 1.85→42.992 Å
| Protein | Nucleic acid | Ligand | Solvent | Total |
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Num. atoms | 6399 | 0 | 25 | 411 | 6835 |
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Biso mean | - | - | 40.68 | 35.88 | - |
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Num. residues | - | - | - | - | 921 |
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Refine LS restraints | Refine-ID | Type | Dev ideal | Number |
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X-RAY DIFFRACTION | f_bond_d0.007 | 6580 | X-RAY DIFFRACTION | f_angle_d1.069 | 9042 | X-RAY DIFFRACTION | f_chiral_restr0.044 | 1137 | X-RAY DIFFRACTION | f_plane_restr0.006 | 1208 | X-RAY DIFFRACTION | f_dihedral_angle_d12.155 | 2305 | | | | | |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 27 Resolution (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Num. reflection all | % reflection obs (%) |
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1.85-1.8734 | 0.3179 | 125 | 0.247 | 2627 | 2752 | 96 | 1.8734-1.898 | 0.3014 | 125 | 0.237 | 2554 | 2679 | 96 | 1.898-1.924 | 0.2436 | 148 | 0.2098 | 2524 | 2672 | 96 | 1.924-1.9515 | 0.2462 | 140 | 0.2012 | 2608 | 2748 | 97 | 1.9515-1.9806 | 0.2467 | 116 | 0.1871 | 2531 | 2647 | 97 | 1.9806-2.0116 | 0.234 | 156 | 0.1899 | 2590 | 2746 | 97 | 2.0116-2.0446 | 0.2613 | 139 | 0.1751 | 2559 | 2698 | 97 | 2.0446-2.0798 | 0.2327 | 109 | 0.1769 | 2599 | 2708 | 97 | 2.0798-2.1176 | 0.2204 | 115 | 0.1787 | 2659 | 2774 | 97 | 2.1176-2.1584 | 0.215 | 129 | 0.1755 | 2558 | 2687 | 97 | 2.1584-2.2024 | 0.1995 | 144 | 0.1686 | 2640 | 2784 | 98 | 2.2024-2.2503 | 0.217 | 131 | 0.1708 | 2525 | 2656 | 97 | 2.2503-2.3027 | 0.2352 | 127 | 0.1739 | 2654 | 2781 | 98 | 2.3027-2.3602 | 0.2373 | 129 | 0.1789 | 2546 | 2675 | 98 | 2.3602-2.4241 | 0.2587 | 117 | 0.1824 | 2663 | 2780 | 98 | 2.4241-2.4954 | 0.2098 | 133 | 0.1667 | 2603 | 2736 | 98 | 2.4954-2.5759 | 0.2259 | 161 | 0.1659 | 2581 | 2742 | 98 | 2.5759-2.668 | 0.201 | 154 | 0.1797 | 2585 | 2739 | 98 | 2.668-2.7748 | 0.2135 | 144 | 0.1786 | 2637 | 2781 | 98 | 2.7748-2.901 | 0.2358 | 139 | 0.1776 | 2609 | 2748 | 98 | 2.901-3.0539 | 0.2223 | 145 | 0.192 | 2624 | 2769 | 99 | 3.0539-3.2452 | 0.2288 | 147 | 0.1862 | 2607 | 2754 | 99 | 3.2452-3.4957 | 0.1903 | 149 | 0.1748 | 2646 | 2795 | 99 | 3.4957-3.8473 | 0.1924 | 153 | 0.1554 | 2614 | 2767 | 99 | 3.8473-4.4035 | 0.1762 | 147 | 0.1573 | 2646 | 2793 | 99 | 4.4035-5.5461 | 0.2002 | 147 | 0.1573 | 2601 | 2748 | 99 | 5.5461-43.0032 | 0.1753 | 141 | 0.1673 | 2643 | 2784 | 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 | 3.0132 | 1.2452 | -1.8405 | 7.1881 | -1.6863 | 3.3868 | 0.2087 | 0.0388 | -0.3298 | -0.2403 | -0.2182 | 0.3857 | -0.079 | -0.4184 | 0.0226 | 0.2463 | 0.0202 | -0.0208 | 0.2477 | 0.0062 | 0.1382 | 8.4304 | -0.5199 | 7.3277 | 2 | 3.1884 | 3.1439 | 2.4222 | 5.0614 | 0.417 | 5.073 | 0.1511 | 0.0896 | 0.6856 | 0.4771 | -0.0783 | 0.335 | -0.6281 | -0.3803 | -0.0638 | 0.3206 | 0.0486 | 0.0513 | 0.1983 | 0.0498 | 0.2378 | 10.6363 | 9.4112 | 14.122 | 3 | 2.8394 | 1.0336 | 0.2967 | 5.2289 | 1.4142 | 3.5955 | -0.0136 | 0.5831 | 0.3742 | -0.4814 | -0.0867 | -0.1704 | -0.1804 | 0.4581 | 0.1446 | 0.3243 | -0.0013 | -0.0504 | 0.2841 | 0.0877 | 0.2264 | 13.8643 | 2.3634 | 6.1808 | 4 | 3.5993 | 1.2896 | -0.2299 | 3.5778 | -0.8536 | 1.6383 | -0.3462 | 1.0769 | -0.2214 | -1.6629 | 0.0434 | -0.0297 | 0.5629 | 0.4077 | -0.1098 | 0.4704 | 0.1599 | 0.0801 | 0.4571 | 0.0092 | 0.0672 | 19.7098 | -6.3829 | 3.425 | 5 | 2.0129 | -0.1042 | 0.3195 | 2.5117 | -0.61 | 2.5637 | 0.0218 | 0.3235 | 0.0497 | -0.282 | -0.0418 | -0.1364 | 0.1671 | 0.2878 | 0.0352 | 0.1813 | 0.0228 | 0.0177 | 0.1906 | 0.0143 | 0.099 | 18.9547 | -7.3247 | 12.9871 | 6 | 4.014 | 0.3582 | -5.3018 | 4.3969 | -0.4077 | 7.1277 | 0.0308 | -0.2398 | -0.2389 | -0.0201 | -0.3311 | 0.3042 | 0.042 | 0.1573 | 0.2656 | 0.198 | -0.0105 | -0.0461 | 0.1794 | -0.0076 | 0.1926 | 17.9062 | -3.9303 | 26.9593 | 7 | 3.8901 | 0.9131 | -1.6547 | 3.2193 | -1.2776 | 3.5032 | 0.0452 | 0.0277 | -0.0728 | 0.0858 | -0.1605 | 0.1134 | -0.1332 | 0.1252 | 0.1079 | 0.1405 | 0.0118 | 0.0009 | 0.1244 | -0.0103 | 0.1222 | 15.4356 | -5.2226 | 20.6471 | 8 | 2.0272 | 1.7988 | 0.3534 | 4.3729 | 1.0864 | 6.2183 | -0.1571 | -0.3338 | 0.3977 | 0.4554 | -0.0722 | 0.1052 | -0.3832 | -0.2998 | 0.2572 | 0.2764 | 0.0139 | -0.0386 | 0.167 | -0.0093 | 0.1573 | 12.2057 | 4.4715 | 22.6609 | 9 | 7.0776 | -1.046 | -4.8839 | 5.0783 | 1.1359 | 6.6685 | 0.2541 | -0.5346 | 0.9858 | 0.1124 | 0.0773 | -0.9533 | -0.5786 | 1.0102 | 0.0228 | 0.3149 | -0.148 | -0.0556 | 0.3332 | 0.121 | 0.3717 | 28.3209 | 7.5563 | 18.7552 | 10 | 7.7181 | 1.6329 | -0.7484 | 3.8975 | -1.2343 | 4.5787 | -0.2338 | 0.0788 | 0.3197 | -0.1026 | 0.2332 | -0.0839 | -0.4738 | -0.1661 | -0.0192 | 0.2099 | 0.0269 | 0.0132 | 0.1671 | -0.0507 | 0.1744 | -1.3811 | 28.8232 | 8.6408 | 11 | 4.4407 | 4.4955 | 1.8146 | 4.5092 | 1.1175 | 6.5121 | -0.0071 | -0.1592 | 0.7324 | 0.4833 | 0.1342 | 0.6078 | -0.6971 | -1.3759 | 0.0854 | 0.2288 | 0.1225 | -0.0125 | 0.3718 | -0.0305 | 0.341 | -12.0987 | 26.6897 | 2.6493 | 12 | 4.1321 | 1.8711 | 1.9851 | 2.4787 | 0.4896 | 1.5879 | -0.2668 | -0.15 | -0.1066 | 0.345 | 0.164 | 0.4392 | -0.2785 | -0.5393 | 0.0146 | 0.2177 | 0.009 | 0.0704 | 0.4592 | -0.0655 | 0.2929 | -4.7189 | 24.2548 | 11.0156 | 13 | 3.7378 | 4.9238 | -2.0865 | 7.3776 | -1.4726 | 3.1873 | 0.5494 | -1.7469 | 0.024 | 0.8169 | -0.5931 | -0.0329 | -0.0302 | 0.0594 | -0.042 | 0.2997 | 0.0021 | -0.0084 | 0.4407 | 0.0184 | 0.1691 | 2.7396 | 17.5388 | 14.2752 | 14 | 7.174 | 1.3598 | -2.0602 | 3.1209 | -0.2225 | 4.2898 | 0.0814 | -0.517 | 0.2703 | 0.13 | -0.0676 | 0.1069 | -0.0825 | 0.1583 | -0.0528 | 0.1513 | 0.0264 | -0.0207 | 0.1327 | -0.0136 | 0.1132 | 2.7213 | 20.9712 | 5.1578 | 15 | 3.9964 | 0.6882 | 0.5552 | 4.0001 | 1.2438 | 3.9326 | -0.0107 | -0.3046 | -0.3179 | 0.3376 | -0.0362 | 0.0528 | 0.3671 | 0.2349 | 0.0363 | 0.1272 | 0.026 | 0.0119 | 0.1324 | 0.0464 | 0.1299 | 5.1695 | 12.608 | 4.1656 | 16 | 6.3196 | -3.3853 | 2.1604 | 6.5888 | -6.2184 | 7.1219 | -0.2305 | -0.2298 | 0.4694 | -0.3532 | -0.0122 | -0.9063 | 0.0688 | -0.1843 | 0.2656 | 0.1589 | 0.0273 | -0.0177 | 0.1698 | -0.0792 | 0.2425 | 0.4503 | 18.1462 | -9.1907 | 17 | 3.5698 | 1.1521 | -1.4363 | 5.3434 | -3.1116 | 5.5949 | 0.1057 | 0.2112 | 0.4139 | 0.0512 | 0.1137 | 0.3158 | -0.1817 | -0.036 | -0.0657 | 0.1321 | 0.0364 | -0.0156 | 0.1302 | -0.0153 | 0.1855 | 3.3772 | 20.3773 | -5.217 | 18 | 3.4091 | -0.5175 | 0.9602 | 4.8026 | -0.5775 | 4.1628 | -0.0872 | 0.1848 | 0.139 | -0.186 | -0.167 | 0.1152 | -0.4897 | -0.2756 | 0.1233 | 0.1569 | 0.0463 | -0.0239 | 0.1554 | -0.0267 | 0.1529 | -4.7212 | 22.8375 | -2.6026 | 19 | 7.4833 | 0.8215 | 0.9231 | 5.9576 | -3.9685 | 3.1546 | 0.1752 | -0.2022 | -0.9596 | -0.4917 | 0.2406 | 1.2098 | 1.0228 | -0.7877 | -0.0558 | 0.3036 | -0.1063 | 0.0239 | 0.3458 | -0.0184 | 0.4331 | -12.0334 | 8.858 | -0.6699 | 20 | 2.8872 | -0.2779 | -1.4032 | 3.8156 | 1.1232 | 4.2553 | 0.0835 | -0.6438 | -0.3655 | 0.7647 | -0.0265 | -0.0342 | 0.5573 | -0.1469 | -0.0704 | 0.336 | -0.0833 | -0.0368 | 0.341 | 0.1112 | 0.2417 | 11.4147 | -30.5814 | 39.966 | 21 | 2.2673 | -1.4612 | -1.0298 | 4.2277 | 0.1818 | 3.2926 | 0.4027 | -0.1345 | -0.472 | 0.2965 | -0.2883 | 0.0218 | 0.757 | -0.3672 | 0.0245 | 0.3803 | -0.095 | -0.0391 | 0.263 | 0.1665 | 0.405 | 11.7505 | -34.4638 | 35.2333 | 22 | 5.6275 | -1.354 | 2.1915 | 1.8853 | -0.7571 | 2.1865 | 0.4298 | 0.5483 | -1.122 | -0.4842 | 0.123 | -0.5297 | 0.795 | 0.5236 | -0.2119 | 0.3825 | 0.0477 | -0.0531 | 0.167 | -0.0348 | 0.4345 | 17.9111 | -35.3821 | 26.2956 | 23 | 4.5108 | 1.2311 | 0.9035 | 2.2655 | 0.56 | 1.3696 | 0.3515 | -0.2625 | -0.7922 | -0.0262 | -0.0585 | -0.3453 | 0.3565 | 0.0262 | -0.1986 | 0.212 | 0.0356 | -0.0421 | 0.1294 | 0.0136 | 0.1949 | 19.1813 | -27.889 | 32.7254 | 24 | 4.2676 | 0.1902 | 1.4875 | 3.1923 | -0.0499 | 1.8637 | 0.0881 | -0.0423 | -0.0483 | -0.1237 | -0.0095 | -0.229 | 0.1991 | 0.0008 | -0.0808 | 0.1224 | 0.02 | 0.038 | 0.1065 | 0.0225 | 0.1568 | 19.3521 | -19.7697 | 28.4909 | 25 | 6.1608 | -1.4557 | 1.2109 | 3.3303 | -1.0307 | 3.5326 | -0.2855 | -1.1511 | 0.4576 | 0.396 | 0.0101 | 0.5446 | 0.0079 | -0.5432 | 0.2385 | 0.1546 | 0.0205 | 0.0265 | 0.3509 | -0.0776 | 0.2656 | 23.4033 | -12.5883 | 43.1835 | 26 | 5.0233 | -0.1494 | 0.5039 | 2.8777 | -1.3301 | 2.5568 | -0.1025 | -0.2319 | -0.1063 | -0.1335 | 0.0742 | -0.0911 | -0.0217 | -0.1842 | -0.1105 | 0.1292 | 0.0247 | 0.0122 | 0.1126 | -0.0048 | 0.133 | 16.7121 | -23.1564 | 30.4357 | 27 | 5.3974 | -1.1891 | 1.6016 | 4.0065 | -1.6067 | 4.905 | -0.0998 | -0.8378 | 0.3869 | 0.2995 | -0.0772 | -0.2349 | 0.0547 | -0.7407 | -0.1208 | 0.2438 | -0.0216 | 0.0395 | 0.3367 | -0.0654 | 0.2137 | 10.5285 | -18.3909 | 40.3179 | 28 | 0.3557 | -0.4114 | 0.8936 | 0.8215 | -0.6754 | 1.1919 | 0.1082 | 0.2472 | -0.0162 | -0.2221 | 0.3048 | 0.3961 | -0.3068 | -0.1572 | -0.2999 | 0.2156 | 0.0139 | -0.002 | 0.274 | 0.0419 | 0.2748 | 2.7317 | -16.5281 | 21.3572 | 29 | 3.7412 | -0.0143 | -0.9336 | 9.4181 | -4.8765 | 9.4546 | -0.1259 | 0.1554 | 0.1077 | -0.0707 | -0.2303 | -0.4618 | 0.5841 | 0.7778 | 0.4736 | 0.1391 | 0.0037 | -0.0375 | 0.3722 | -0.0409 | 0.1566 | 45.7898 | -11.4947 | 39.233 | 30 | 3.7267 | 1.1574 | -3.8819 | 3.9996 | -2.3627 | 4.4588 | 0.6964 | 0.0594 | 1.2152 | -0.1636 | -0.5776 | -1.5553 | -1.4377 | 1.1255 | -0.3385 | 0.6822 | -0.2485 | 0.068 | 0.6663 | 0.2571 | 0.7541 | 49.2819 | 5.2039 | 27.9783 | 31 | 6.3516 | -0.8682 | 1.8275 | 7.1974 | -1.3405 | 2.0867 | -0.195 | -0.0876 | 0.3389 | 0.1388 | -0.0012 | -0.3708 | -0.5536 | 0.4441 | 0.2027 | 0.1779 | -0.0394 | -0.0328 | 0.1882 | -0.0097 | 0.1276 | 42.5386 | -2.8764 | 44.2287 | 32 | 1.4935 | 1.0233 | -2.4164 | 1.9659 | -0.7856 | 4.4099 | 0.077 | 0.6029 | 0.0515 | 0.6906 | -0.0553 | -1.1209 | 0.3073 | 1.0042 | 0.3582 | -0.1534 | -0.0638 | 0.1706 | 0.6532 | 0.0069 | 0.2486 | 48.41 | -7.0735 | 35.0304 | 33 | 2.8519 | -1.988 | -0.9605 | 8.1385 | -2.4085 | 5.35 | 0.2482 | 0.603 | 0.1437 | -0.6079 | -0.1133 | -0.6273 | 0.1809 | 1.241 | -0.0006 | 0.2105 | 0.023 | 0.0513 | 0.5881 | -0.01 | 0.2833 | 47.6273 | -13.8087 | 26.1461 | 34 | 3.3427 | 0.14 | 0.765 | 1.8505 | -1.2318 | 3.7308 | -0.1715 | 0.5719 | 0.217 | 0.084 | 0.01 | -0.2663 | -0.1352 | 0.4782 | 0.0959 | 0.1381 | -0.0165 | 0.0158 | 0.3211 | 0.0073 | 0.1762 | 40.4036 | -7.0685 | 28.445 | 35 | 4.7731 | 2.1458 | -2.4375 | 5.2686 | -1.9914 | 5.0794 | -0.1539 | 0.8041 | -0.1527 | -0.4723 | 0.0835 | -0.2618 | 0.4056 | 0.306 | 0.0926 | 0.1379 | 0.0248 | -0.0158 | 0.2956 | -0.0254 | 0.1159 | 36.4325 | -14.4339 | 25.8388 | 36 | 3.0693 | -1.1817 | 1.1235 | 2.9647 | 2.9497 | 4.8619 | -0.0593 | 0.0294 | 0.0532 | -0.2194 | -0.2151 | 0.5685 | -0.3641 | -0.0626 | 0.2659 | 0.2014 | 0.024 | -0.0327 | 0.2547 | -0.0306 | 0.1822 | 26.6187 | -5.8719 | 34.1897 | 37 | 3.3139 | -0.6392 | 2.1243 | 4.1656 | -0.4841 | 4.1926 | -0.3832 | -0.3122 | 0.3438 | 0.2284 | -0.0766 | 0.6152 | -0.6402 | 0.022 | 0.2269 | 0.2671 | -0.0174 | -0.0346 | 0.1924 | 0.0011 | 0.3315 | 25.2852 | 4.2564 | 30.6461 | 38 | 3.0502 | -0.7227 | 1.5989 | 2.1912 | -1.5626 | 2.1797 | 0.0505 | 0.3161 | -0.1143 | -0.062 | -0.0662 | 0.135 | 0.003 | 0.2265 | 0.0593 | 0.1425 | 0.0149 | 0.0189 | 0.2369 | -0.0045 | 0.1286 | 36.8166 | -10.8823 | 31.7587 | 39 | 4.6218 | 1.5186 | -1.5034 | 3.7683 | -5.4809 | 8.581 | -0.1087 | -0.0549 | 0.2974 | 0.1106 | 0.2262 | 0.1564 | -0.2245 | -0.1681 | -0.1416 | 0.1817 | -0.0118 | -0.0317 | 0.2161 | -0.0482 | 0.2115 | 33.644 | -1.8897 | 40.9747 | 40 | 2.1559 | 0.851 | 0.8553 | 3.405 | 4.218 | 5.5495 | 0.2017 | -0.4372 | -0.3671 | 0.1638 | -0.1224 | 0.2003 | 0.2268 | -0.3158 | -0.053 | 0.1443 | 0.0034 | -0.0145 | 0.1987 | 0.0055 | 0.1454 | 34.9955 | -18.3008 | 43.6528 | 41 | 3.1151 | 0.7286 | 1.3889 | 1.5874 | -1.6589 | 3.5089 | -0.1463 | 0.7477 | -0.019 | -0.8593 | 0.5015 | -0.6175 | -0.198 | 0.5952 | -0.1993 | 0.4105 | -0.1766 | 0.1636 | 0.4224 | -0.0806 | 0.3158 | 27.806 | 21.6627 | -22.4589 | 42 | 4.8261 | -2.6856 | -0.0206 | 1.946 | -0.5473 | 2.2811 | -0.1335 | 0.3344 | 0.4411 | 0.3085 | 0.0376 | -0.1844 | -0.2199 | 0.3414 | 0.0029 | 0.2713 | -0.11 | 0.0862 | 0.3323 | -0.1154 | 0.4985 | 31.1261 | 20.8106 | -17.5799 | 43 | 2.5445 | -2.1507 | -1.6159 | 8.4524 | 3.3511 | 2.1689 | 0.0376 | -0.5127 | -0.5704 | 0.3258 | 0.3083 | -1.1125 | 0.166 | 0.4004 | -0.2775 | 0.1814 | 0.038 | -0.0267 | 0.4122 | -0.1025 | 0.4147 | 31.7125 | 14.7852 | -8.6808 | 44 | 3.5173 | 1.4552 | -0.0858 | 5.3524 | -0.1849 | 0.9809 | -0.1388 | 0.0192 | -0.2471 | -0.1685 | 0.3815 | -0.5036 | -0.0019 | 0.3512 | -0.2401 | 0.1188 | 0.0273 | 0.0241 | 0.2133 | -0.0733 | 0.2217 | 24.1358 | 14.2797 | -15.1729 | 45 | 2.4933 | 0.0446 | -0.6041 | 3.1533 | 0.753 | 3.7009 | -0.0658 | -0.1375 | -0.1777 | -0.1476 | 0.1803 | -0.0825 | 0.0844 | 0.1041 | -0.1283 | 0.1264 | -0.0176 | 0.0089 | 0.1156 | -0.0009 | 0.1903 | 16.319 | 14.9814 | -11.0317 | 46 | 5.5959 | 0.5429 | 2.9145 | 4.8812 | -1.7954 | 2.448 | -0.3756 | 0.5845 | 0.4872 | -0.4363 | -0.0133 | 0.1728 | -0.8898 | 0.4685 | 0.4689 | 0.3187 | -0.0563 | -0.0477 | 0.2369 | 0.0249 | 0.2768 | 8.5347 | 11.8078 | -25.7329 | 47 | 3.343 | 0.6649 | -0.8142 | 4.9769 | 1.3895 | 4.3255 | -0.2036 | -0.0372 | -0.1999 | -0.3491 | 0.1882 | -0.2473 | -0.3474 | 0.2963 | 0.0003 | 0.1194 | -0.003 | 0.0173 | 0.1283 | -0.0167 | 0.1609 | 19.7679 | 17.2626 | -12.9544 | 48 | 7.4755 | 0.1359 | -1.1254 | 6.9302 | 0.5583 | 3.7545 | -0.5359 | 1.1614 | -0.1307 | -0.8349 | 0.406 | 0.5604 | -0.464 | -0.4613 | -0.0454 | 0.4251 | -0.0879 | -0.0425 | 0.3133 | 0.0484 | 0.1793 | 15.9076 | 23.7401 | -22.9774 | 49 | 2.5903 | -3.7274 | -0.1191 | 8.6282 | -5.3169 | 9.1811 | 0.3784 | -0.2468 | 0.2765 | 0.0203 | 0.2132 | 0.1692 | -0.7347 | 0.1974 | -0.611 | 0.283 | 0.0094 | 0.0498 | 0.1622 | -0.019 | 0.2591 | 17.0423 | 30.529 | -7.7197 | 50 | 3.2045 | -0.2112 | 0.8653 | 2.6756 | -0.699 | 5.3989 | 0.0093 | -0.4328 | -0.3684 | 0.3898 | 0.0293 | 0.5 | 0.6894 | -0.387 | 0.1704 | 0.385 | -0.0848 | 0.0737 | 0.2051 | -0.0368 | 0.2635 | -2.1938 | -10.603 | -17.3572 | 51 | 3.6254 | -1.0875 | -0.3751 | 2.287 | -0.1623 | 7.4806 | 0.1105 | 0.2739 | -0.2123 | 0.1002 | -0.2374 | 0.2553 | 0.181 | -0.4815 | 0.1162 | 0.2353 | -0.0395 | 0.0096 | 0.1827 | -0.074 | 0.1842 | -3.9132 | -6.2171 | -26.4478 | 52 | 0.6134 | 0.2577 | 0.4418 | 1.7084 | -1.4683 | 5.3831 | 0.0881 | -0.0617 | -0.0686 | 0.4408 | 0.1239 | 0.5623 | 1.1577 | 0.129 | 0.1317 | 0.5111 | -0.0433 | 0.1084 | 0.1783 | -0.0586 | 0.3304 | -0.2411 | -12.3278 | -17.7734 | 53 | 2.7457 | -0.5385 | 0.4024 | 2.0197 | -0.9329 | 3.8758 | -0.4342 | -0.4802 | -0.8378 | 0.6572 | 0.1108 | 0.4083 | 1.0165 | 0.1208 | 0.069 | 0.5162 | 0.0515 | 0.0934 | 0.1662 | 0.0427 | 0.3645 | 6.1587 | -12.647 | -8.9456 | 54 | 1.9629 | -0.7105 | -1.1889 | 3.1899 | 1.931 | 3.579 | -0.3833 | 0.0261 | -0.1915 | 0.4247 | -0.0606 | 0.1737 | 0.6536 | -0.1878 | 0.2984 | 0.2789 | -0.0043 | 0.0334 | 0.13 | 0.011 | 0.186 | 0.8522 | -4.4368 | -11.0039 | 55 | 2.7756 | 0.0791 | -1.5407 | 2.5696 | 0.5649 | 3.7304 | -0.203 | -0.3625 | -0.146 | 0.4795 | 0.0345 | -0.1378 | 0.46 | 0.2557 | 0.0787 | 0.2802 | 0.0446 | -0.0416 | 0.1598 | -0.0113 | 0.1492 | 8.6584 | -1.2876 | -8.4303 | 56 | 8.1105 | -1.0462 | -0.2084 | 3.0467 | 1.7338 | 3.61 | -0.0025 | 0.0047 | 0.3986 | 0.1199 | -0.1316 | 0.008 | -0.158 | -0.2055 | 0.0774 | 0.2038 | 0.0296 | -0.0298 | 0.1632 | -0.0447 | 0.1991 | 1.6011 | 9.4942 | -16.3596 | 57 | 2.4223 | -1.2817 | -1.2262 | 2.3542 | 1.6678 | 2.3321 | -0.091 | 0.0772 | 0.0035 | 0.1263 | -0.1207 | 0.16 | 0.1537 | -0.1901 | 0.1799 | 0.164 | -0.008 | 0.0087 | 0.1491 | -0.0246 | 0.1671 | -0.0995 | 3.4596 | -13.5015 | 58 | 4.895 | 0.1078 | -2.3467 | 3.3262 | 0.5185 | 4.2467 | 0.135 | 0.3832 | 0.5627 | 0.0356 | -0.1045 | 0.2584 | -0.1547 | -0.4631 | 0.2282 | 0.1908 | 0.0097 | -0.0387 | 0.2133 | -0.0361 | 0.1665 | -3.7905 | 2.8622 | -23.1236 | 59 | 3.7092 | -1.1183 | 0.6552 | 5.9388 | 0.8924 | 6.3679 | -0.3198 | 0.5695 | 0.1766 | -0.5181 | 0.3502 | -0.6089 | -0.1565 | 0.6718 | -0.0613 | 0.2485 | -0.0459 | 0.0264 | 0.219 | -0.0544 | 0.1691 | 13.1682 | -0.3871 | -26.2261 |
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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 4 through 23 )A0 | 2 | X-RAY DIFFRACTION | 2 | chain 'A' and (resid 24 through 36 )A0 | 3 | X-RAY DIFFRACTION | 3 | chain 'A' and (resid 37 through 49 )A0 | 4 | X-RAY DIFFRACTION | 4 | chain 'A' and (resid 50 through 61 )A0 | 5 | X-RAY DIFFRACTION | 5 | chain 'A' and (resid 62 through 93 )A0 | 6 | X-RAY DIFFRACTION | 6 | chain 'A' and (resid 94 through 104 )A0 | 7 | X-RAY DIFFRACTION | 7 | chain 'A' and (resid 105 through 132 )A0 | 8 | X-RAY DIFFRACTION | 8 | chain 'A' and (resid 133 through 145 )A0 | 9 | X-RAY DIFFRACTION | 9 | chain 'A' and (resid 146 through 155 )A0 | 10 | X-RAY DIFFRACTION | 10 | chain 'B' and (resid 4 through 24 )B0 | 11 | X-RAY DIFFRACTION | 11 | chain 'B' and (resid 25 through 36 )B0 | 12 | X-RAY DIFFRACTION | 12 | chain 'B' and (resid 37 through 49 )B0 | 13 | X-RAY DIFFRACTION | 13 | chain 'B' and (resid 50 through 61 )B | | | | | | | | | | | | | | | | | | | | | | | | | |
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