ソフトウェア | 名称 | バージョン | 分類 |
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PHENIX | 1.7.2_869精密化 | xia2 | | データ削減 | xia2 | | データスケーリング | PHASER | | 位相決定 | |
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精密化 | 解像度: 2.601→19.907 Å / SU ML: 0.71 / 交差検証法: THROUGHOUT / σ(F): 1.49 / 位相誤差: 25.66
| Rfactor | 反射数 | %反射 |
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Rfree | 0.2388 | 1017 | 5.36 % |
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Rwork | 0.201 | - | - |
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obs | 0.203 | 18970 | 97.99 % |
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溶媒の処理 | 減衰半径: 0.73 Å / VDWプローブ半径: 1 Å / Bsol: 34.722 Å2 / ksol: 0.358 e/Å3 |
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原子変位パラメータ | | Baniso -1 | Baniso -2 | Baniso -3 |
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1- | -2.9893 Å2 | 0 Å2 | -2.7849 Å2 |
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2- | - | 1.0965 Å2 | -0 Å2 |
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3- | - | - | 1.8928 Å2 |
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精密化ステップ | サイクル: LAST / 解像度: 2.601→19.907 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 4724 | 0 | 0 | 95 | 4819 |
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拘束条件 | Refine-ID | タイプ | Dev ideal | 数 |
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X-RAY DIFFRACTION | f_bond_d0.003 | 4778 | X-RAY DIFFRACTION | f_angle_d0.738 | 6464 | X-RAY DIFFRACTION | f_dihedral_angle_d14.863 | 1766 | X-RAY DIFFRACTION | f_chiral_restr0.053 | 744 | X-RAY DIFFRACTION | f_plane_restr0.004 | 886 | | | | | |
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Refine LS restraints NCS | Ens-ID | Dom-ID | Auth asym-ID | 数 | Refine-ID | タイプ | Rms dev position (Å) |
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1 | 1 | A1172 | X-RAY DIFFRACTION | POSITIONAL | 1 | 2 | B1172 | X-RAY DIFFRACTION | POSITIONAL0.445 | 1 | 3 | C1172 | X-RAY DIFFRACTION | POSITIONAL0.641 | 1 | 4 | D1172 | X-RAY DIFFRACTION | POSITIONAL0.519 | | | | | | | | |
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LS精密化 シェル | 解像度 (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Refine-ID | % reflection obs (%) |
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2.6011-2.7379 | 0.3339 | 129 | 0.2799 | 2235 | X-RAY DIFFRACTION | 86 | 2.7379-2.9089 | 0.3551 | 127 | 0.2722 | 2613 | X-RAY DIFFRACTION | 100 | 2.9089-3.1328 | 0.2734 | 154 | 0.2493 | 2563 | X-RAY DIFFRACTION | 100 | 3.1328-3.4465 | 0.2827 | 158 | 0.2202 | 2608 | X-RAY DIFFRACTION | 100 | 3.4465-3.9419 | 0.209 | 153 | 0.1822 | 2603 | X-RAY DIFFRACTION | 100 | 3.9419-4.9537 | 0.2103 | 142 | 0.1676 | 2628 | X-RAY DIFFRACTION | 100 | 4.9537-19.9072 | 0.1945 | 154 | 0.175 | 2703 | X-RAY DIFFRACTION | 100 |
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精密化 TLS | 手法: 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 | 0.4577 | 0.2354 | -0.0822 | 0.3265 | -0.2451 | 0.2261 | 0.0094 | -0.0952 | 0.1185 | 0.0602 | -0.0689 | -0.0614 | -0.283 | -0.0563 | -0.0694 | 0.1642 | 0.0319 | 0.0131 | 0.0833 | -0.053 | 0.2241 | -3.4473 | 21.8214 | 42.5186 | 2 | 0.3871 | -0.2381 | 0.1971 | 0.9352 | -0.6147 | 0.4166 | -0.0152 | 0.009 | 0.4795 | 0.1306 | -0.2332 | -0.2505 | -0.3036 | -0.0853 | -0.0741 | 0.2144 | 0.0316 | 0.0265 | 0.1115 | 0.0013 | 0.1997 | 5.6549 | 19.7251 | 40.7961 | 3 | 0.0441 | -0.0595 | 0.0314 | 0.1102 | 0.0138 | 0.1269 | 0.0878 | -0.0864 | -0.0093 | 0.0533 | -0.0208 | 0.075 | -0.0243 | 0.0156 | 0.0409 | 0.1048 | -0.2051 | -0.038 | -0.0006 | 0.0231 | 0.2387 | 0.1867 | 10.1129 | 43.7086 | 4 | 0.1834 | -0.0177 | 0.2015 | 0.4794 | -0.2779 | 0.3581 | -0.0359 | 0.0301 | 0.1587 | -0.1112 | -0.1983 | -0.0591 | 0.0263 | 0.159 | -0.0241 | 0.3192 | -0.0229 | 0.0003 | 0.1886 | -0.0013 | 0.1753 | 11.9059 | 15.1045 | 37.1251 | 5 | 0.2554 | -0.1073 | -0.074 | 0.0988 | 0.1121 | 0.1426 | 0.1126 | -0.0922 | 0.0635 | 0.0117 | 0.0152 | -0.1328 | -0.0545 | -0.0227 | 0.177 | 0.1281 | -0.1505 | 0.0318 | -0.2119 | 0.1128 | 0.076 | 11.5269 | 8.994 | 47.0184 | 6 | 0.8314 | -0.3596 | -0.497 | 0.4587 | 0.1588 | 0.7943 | -0.1166 | 0.0743 | -0.2086 | -0.0845 | 0.0145 | 0.1126 | 0.1416 | -0.2277 | -0.2129 | 0.1914 | -0.0151 | 0.0267 | 0.1374 | 0.1253 | 0.0924 | 21.562 | 10.6655 | 39.4446 | 7 | 0.9541 | -0.2223 | 0.191 | 0.2565 | -0.3049 | 0.357 | -0.0377 | -0.2344 | 0.2147 | 0.1162 | -0.1651 | -0.1402 | -0.2884 | 0.0713 | -0.0226 | 0.1363 | -0.1819 | 0.1145 | -0.0695 | 0.3365 | -0.1388 | 20.2315 | 6.4023 | 50.6024 | 8 | 0.2002 | 0.0458 | 0.001 | 0.0099 | -0.0002 | -0.0001 | 0.0175 | 0.0909 | 0.1018 | -0.0244 | -0.1074 | -0.1658 | -0.0383 | 0.2064 | -0.169 | -0.0027 | -0.119 | 0.1644 | 0.341 | 0.2119 | 0.3541 | 29.9456 | 7.9841 | 42.7421 | 9 | 0.0969 | 0.0554 | -0.0309 | 0.1703 | -0.0261 | 0.074 | 0.06 | -0.0889 | 0.0675 | 0.119 | -0.1173 | 0.049 | 0.0246 | -0.0016 | -0.0961 | 0.188 | -0.3261 | -0.0488 | 0.4228 | 0.3498 | 0.3865 | 29.5081 | 5.9718 | 54.9117 | 10 | 0.2901 | -0.0529 | 0.1176 | 0.1914 | 0.0199 | 0.344 | -0.1496 | 0.0285 | 0.1127 | 0.0467 | -0.0718 | -0.0489 | -0.181 | 0.1565 | -1.0258 | 0.2418 | -0.0696 | -0.15 | 0.314 | 0.0077 | 0.0737 | 25.7666 | -14.7591 | 73.6888 | 11 | 0.3336 | -0.5422 | 0.2987 | 0.9161 | -0.3888 | 0.5602 | 0.1239 | -0.0283 | -0.0419 | 0.0236 | 0.1017 | 0.0976 | 0.1018 | -0.0172 | 0.5448 | 0.2836 | 0.0995 | 0.0798 | 0.0739 | 0.0641 | 0.0408 | 20.7241 | -20.6541 | 68.3047 | 12 | 0.0757 | -0.1285 | 0.0522 | 0.2084 | -0.0841 | 0.0358 | -0.0292 | 0.0231 | 0.0685 | 0.1367 | -0.007 | -0.022 | -0.1499 | 0.0166 | -0.1762 | 0.1633 | -0.1794 | 0.0559 | 0.1823 | 0.1621 | -0.1416 | 19.4046 | -9.8702 | 64.6258 | 13 | 0.2985 | -0.2085 | 0.313 | 0.1496 | -0.1978 | 0.4863 | -0.0936 | 0.0541 | 0.0784 | -0.0317 | -0.0578 | -0.0888 | 0.0982 | 0.181 | -0.0247 | 0.1582 | -0.0167 | 0.0134 | 0.1035 | 0.0177 | 0.0815 | 15.6987 | -19.3235 | 59.7796 | 14 | 0.1955 | 0.031 | 0.1503 | 0.2617 | 0.218 | 0.3756 | 0.0082 | -0.1378 | 0.0489 | 0.1227 | -0.0686 | 0.0841 | -0.0335 | -0.1098 | -0.2956 | -0.0051 | -0.208 | 0.1627 | 0.0422 | 0.123 | -0.132 | 13.1385 | -8.1673 | 58.1026 | 15 | 0.5324 | -0.3998 | -0.254 | 0.7751 | 0.2787 | 0.3242 | 0.0698 | -0.0662 | -0.1425 | -0.0299 | 0.0807 | 0.1353 | 0.1363 | 0.0054 | 0.2612 | 0.2037 | -0.0465 | -0.0621 | 0.0609 | 0.0341 | 0.1762 | 4.8029 | -14.2958 | 54.6059 | 16 | 0.5309 | 0.2338 | -0.1562 | 0.4656 | 0.3572 | 0.5429 | 0.1292 | 0.0384 | 0.0932 | -0.1772 | 0.0684 | 0.0501 | -0.2499 | 0.1644 | 0.3514 | 0.2301 | -0.0786 | -0.0718 | -0.0613 | 0.0555 | 0.1297 | 2.8252 | -10.3813 | 49.4747 | 17 | 0.2061 | -0.015 | 0.1814 | 0.4174 | 0.1071 | 0.1952 | 0.0479 | -0.1413 | -0.1763 | 0.1151 | -0.0694 | 0.1632 | 0.0847 | -0.0829 | -0.4131 | -0.1288 | -0.3385 | -0.0254 | -0.1848 | 0.1445 | 0.1573 | -5.2487 | -5.3434 | 51.0985 | 18 | 0.0144 | -0.0041 | -0.004 | 0.005 | 0.0071 | 0.0063 | -0.0504 | 0.014 | 0.1749 | -0.0101 | -0.1687 | 0.2626 | 0.1268 | 0.1841 | 0.0001 | 0.7043 | 0.0261 | 0.2888 | 0.6845 | -0.0348 | 0.7635 | 14.5364 | -7.6344 | -4.0926 | 19 | 0.0015 | 0.0029 | -0.0004 | 0.0065 | 0.0035 | 0.0063 | 0.0592 | 0.0118 | -0.0896 | 0.0021 | 0.0435 | -0.0677 | 0.0583 | 0.1873 | -0.0002 | 1.0699 | 0.1639 | 0.287 | 0.8311 | 0.2044 | 1.2083 | 8.674 | -14.3459 | -0.0908 | 20 | 0.0117 | 0.0052 | 0.0079 | 0.0022 | 0.0048 | 0.0078 | 0.1493 | -0.1108 | -0.0857 | -0.0355 | 0.211 | -0.0918 | -0.2157 | 0.222 | 0.0013 | 0.8072 | -0.0029 | 0.1375 | 1.1881 | 0.2177 | 1.0758 | 17.9934 | -4.1042 | 2.09 | 21 | 0.003 | -0.0052 | -0.0012 | 0.0119 | -0.0042 | 0.0092 | -0.0867 | -0.0534 | -0.0025 | 0.0074 | -0.0096 | -0.14 | -0.0698 | 0.3572 | -0 | 0.7407 | -0.1204 | 0.0467 | 0.7001 | -0.0203 | 0.5438 | 7.8602 | -0.4873 | 3.4481 | 22 | 0.0022 | -0.0034 | -0.001 | 0.0034 | 0.0022 | 0.0061 | -0.0355 | -0.0528 | -0.055 | 0.0644 | 0.0018 | 0.0224 | 0.0703 | 0.059 | 0.0007 | 0.7545 | 0.2924 | 0.3044 | 0.9696 | 0.4056 | 0.9093 | 7.1958 | -9.7143 | 8.8498 | 23 | 0.0649 | -0.0159 | 0.014 | 0.0079 | 0.0051 | 0.0169 | 0.0648 | -0.0053 | -0.2534 | -0.0059 | 0.0629 | -0.2037 | 0.1849 | 0.1876 | -0.0006 | 0.7808 | -0.2178 | 0.0826 | 1.196 | -0.1164 | 0.8595 | 15.8317 | 3.4924 | 9.7793 | 24 | 0.0015 | -0.005 | -0.0037 | 0.033 | 0.0329 | 0.0304 | -0.1594 | -0.2439 | 0.0668 | -0.2586 | 0.0452 | 0.219 | -0.1608 | 0.393 | 0.0001 | 0.6483 | -0.0579 | 0.1993 | 0.7735 | 0.0035 | 0.5584 | 3.8287 | 3.102 | 10.5222 | 25 | 0.0118 | 0.0265 | -0.0086 | 0.067 | -0.0238 | 0.0073 | 0.0425 | -0.2062 | 0.2847 | -0.255 | 0.0813 | -0.1067 | -0.5424 | 0.2529 | -0.0019 | 1.0299 | -0.3637 | 0.1125 | 1.2679 | -0.1161 | 0.9816 | 11.6658 | 8.2456 | 15.777 | 26 | 0.0016 | 0.0019 | -0.0005 | 0.1105 | 0.0914 | 0.0759 | -0.0121 | -0.487 | 0.1698 | -0.279 | 0.0548 | -0.0237 | -0.1331 | 0.1288 | -0.0099 | 0.8505 | -0.3065 | 0.4061 | 0.8142 | -0.1648 | 0.9343 | 0.4112 | 10.7752 | 14.4514 | 27 | 0.0151 | 0.0152 | -0.0094 | 0.0129 | -0.0094 | 0.0127 | 0.184 | 0.0289 | 0.2231 | -0.1622 | -0.0239 | -0.069 | -0.0743 | -0.007 | 0.0014 | 1.3195 | -0.3391 | 0.1446 | 1.1468 | -0.3426 | 1.1586 | 9.2104 | 19.0223 | 18.5756 | 28 | 0.0009 | 0.0009 | -0.0014 | 0.0118 | -0.0099 | 0.0076 | 0.0506 | -0.072 | 0.0491 | -0.0623 | 0.0247 | -0.0433 | -0.1272 | 0.0275 | 0.0003 | 1.4325 | -0.0947 | 0.3563 | 0.8715 | -0.1178 | 1.4142 | 0.6367 | 22.1509 | 12.4377 | 29 | 0.0004 | -0.0019 | 0.0014 | 0.01 | -0.0094 | 0.0096 | 0.046 | 0.0327 | 0.1311 | -0.0721 | 0.0219 | 0.0992 | -0.1139 | -0.018 | 0.0013 | 1.5753 | 0.0155 | 0.4044 | 0.8712 | -0.015 | 1.4827 | -5.7327 | 18.7132 | 18.6856 | 30 | 0.0053 | -0.0012 | -0.0073 | 0.0212 | 0.049 | 0.1152 | 0.1519 | 0.0467 | 0.0591 | -0.042 | 0.0339 | 0.1411 | 0.0296 | -0.0389 | 0.0911 | 1.0951 | 0.2132 | 0.2114 | 0.5716 | 0.2789 | 1.2268 | -28.3595 | 15.3589 | 24.9706 | 31 | 0.4321 | 0.1103 | 0.2567 | 0.0312 | 0.0656 | 0.1573 | 0.3783 | 0.1359 | 0.4649 | 0.0576 | 0.0699 | 0.2329 | -0.6836 | -0.0246 | 0.1952 | 0.651 | 0.0204 | 0.1434 | 0.4749 | 0.2363 | 0.575 | -24.9133 | 6.9372 | 28.097 | 32 | 0.0767 | -0.0013 | -0.0139 | 0.0003 | 0.0001 | 0.0023 | 0.067 | -0.0978 | 0.1908 | -0.0501 | 0.0119 | 0.0887 | -0.0385 | -0.0101 | 0.0034 | 0.9744 | -0.1727 | 0.2624 | 0.5321 | 0.1801 | 1.0117 | -16.4117 | 13.6513 | 24.3167 | 33 | 0.0446 | -0.0198 | 0.0207 | 0.0309 | -0.026 | 0.0246 | 0.1736 | -0.0877 | 0.4652 | -0.0332 | 0.0803 | -0.1968 | -0.6769 | 0.3025 | 0.0098 | 0.5209 | -0.1125 | 0.0678 | 0.4371 | 0.0866 | 0.4104 | -19.3242 | 2.1694 | 32.3627 | 34 | 0.0178 | 0.0175 | -0.0211 | 0.0156 | -0.0195 | 0.0238 | 0.1886 | 0.0138 | -0.1463 | -0.0318 | -0.1088 | 0.0875 | -0.1514 | 0.0811 | 0.0004 | 0.4484 | -0.0331 | 0.0249 | 0.4313 | 0.1261 | 0.4044 | -16.9179 | -1.4729 | 22.2814 | 35 | 0.0021 | -0.0028 | 0.0043 | 0.0045 | -0.0059 | 0.0087 | 0.064 | -0.0032 | 0.0826 | -0.1072 | 0.0897 | 0.005 | -0.1853 | 0.1326 | 0.0002 | 0.5177 | -0.1284 | 0.2195 | 0.6703 | 0.0325 | 0.5484 | -9.8152 | 5.5501 | 21.9409 | 36 | 0.1914 | -0.1434 | 0.0998 | 0.1084 | -0.0771 | 0.0577 | -0.4013 | -0.2289 | -0.0783 | 0.1328 | -0.1619 | -0.2268 | -0.3028 | 0.6852 | -0.0142 | 0.7225 | 0.1171 | 0.1084 | 0.7707 | 0.3296 | 0.5946 | -12.8489 | -5.217 | 31.1611 | 37 | 0.0236 | 0.0039 | 0.0135 | 0.2192 | 0.0279 | 0.0158 | -0.2649 | -0.3428 | -0.0059 | -0.2644 | -0.0278 | 0.1198 | 0.3391 | 0.7282 | -0.0178 | 0.6286 | 0.1431 | 0.2251 | 0.6274 | 0.1722 | 0.5406 | -9.037 | -6.0947 | 20.0868 | 38 | 0.0227 | -0.0402 | 0.0081 | 0.0763 | -0.0104 | 0.0053 | -0.1375 | -0.068 | -0.1645 | 0.0491 | -0.0692 | 0.1455 | 0.0843 | 0.1028 | -0.132 | 1.0721 | 0.47 | 0.3628 | 1.0656 | 0.4654 | 1.31 | -8.9496 | -14.8379 | 29.3236 | 39 | 0.0002 | 0.0025 | 0.0006 | 0.0216 | 0.0073 | 0.0037 | -0.0976 | -0.0537 | -0.0177 | 0.0693 | 0.0064 | -0.0311 | 0.2418 | 0.1315 | -0.001 | 1.4202 | 0.27 | 0.5276 | 0.8109 | 0.1249 | 1.2856 | -6.9908 | -15.7083 | 17.0588 |
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精密化 TLSグループ | ID | Refine-ID | Refine TLS-ID | Selection details |
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1 | X-RAY DIFFRACTION | 1 | chain 'A' and (resseq 0:24)2 | X-RAY DIFFRACTION | 2 | chain 'A' and (resseq 25:48)3 | X-RAY DIFFRACTION | 3 | chain 'A' and (resseq 49:57)4 | X-RAY DIFFRACTION | 4 | chain 'A' and (resseq 58:71)5 | X-RAY DIFFRACTION | 5 | chain 'A' and (resseq 72:91)6 | X-RAY DIFFRACTION | 6 | chain 'A' and (resseq 92:104)7 | X-RAY DIFFRACTION | 7 | chain 'A' and (resseq 105:124)8 | X-RAY DIFFRACTION | 8 | chain 'A' and (resseq 125:137)9 | X-RAY DIFFRACTION | 9 | chain 'A' and (resseq 138:157)10 | X-RAY DIFFRACTION | 10 | chain 'B' and (resseq -2:24) | 11 | X-RAY DIFFRACTION | 11 | chain 'B' and (resseq 25:38)12 | X-RAY DIFFRACTION | 12 | chain 'B' and (resseq 39:57)13 | X-RAY DIFFRACTION | 13 | chain 'B' and (resseq 58:71)14 | X-RAY DIFFRACTION | 14 | chain 'B' and (resseq 72:91)15 | X-RAY DIFFRACTION | 15 | chain 'B' and (resseq 92:114)16 | X-RAY DIFFRACTION | 16 | chain 'B' and (resseq 115:137)17 | X-RAY DIFFRACTION | 17 | chain 'B' and (resseq 138:157)18 | X-RAY DIFFRACTION | 18 | chain 'C' and (resseq 0:13)19 | X-RAY DIFFRACTION | 19 | chain 'C' and ( | | | | | | | | | | | | | | | | | |
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