ソフトウェア | 名称 | バージョン | 分類 | NB |
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PHENIX | 1.7_650精密化 | | PDB_EXTRACT | 3.1 | データ抽出 | | HKL-2000 | | データ収集 | | HKL-2000 | | データ削減 | | HKL-2000 | | データスケーリング | | PHASER | | 位相決定 | | |
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精密化 | 構造決定の手法: 分子置換 / 解像度: 2.806→20 Å / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.7642 / SU ML: 0.4 / σ(F): 0.1 / 位相誤差: 30.6 / 立体化学のターゲット値: ML
| Rfactor | 反射数 | %反射 | Selection details |
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Rfree | 0.2721 | 1159 | 5.14 % | RANDOM |
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Rwork | 0.2172 | - | - | - |
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obs | 0.22 | 22562 | 93.66 % | - |
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溶媒の処理 | 減衰半径: 0.72 Å / VDWプローブ半径: 1 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 25.498 Å2 / ksol: 0.307 e/Å3 |
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原子変位パラメータ | Biso max: 191.96 Å2 / Biso mean: 58.5629 Å2 / Biso min: 9.71 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | -4.2116 Å2 | -1.2878 Å2 | 2.4205 Å2 |
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2- | - | 1.8677 Å2 | 9.8101 Å2 |
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3- | - | - | 2.3439 Å2 |
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精密化ステップ | サイクル: LAST / 解像度: 2.806→20 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 6862 | 0 | 54 | 36 | 6952 |
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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 | 7084 | X-RAY DIFFRACTION | f_angle_d0.776 | 9603 | X-RAY DIFFRACTION | f_chiral_restr0.052 | 1056 | X-RAY DIFFRACTION | f_plane_restr0.005 | 1244 | X-RAY DIFFRACTION | f_dihedral_angle_d13.95 | 2528 | | | | | |
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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 | A732 | X-RAY DIFFRACTION | POSITIONAL0.021 | 1 | 2 | C732 | X-RAY DIFFRACTION | POSITIONAL0.021 | 2 | 1 | B431 | X-RAY DIFFRACTION | POSITIONAL0.067 | 2 | 2 | D431 | X-RAY DIFFRACTION | POSITIONAL0.067 | | | | | | | | |
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LS精密化 シェル | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 8 解像度 (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Num. reflection all | % reflection obs (%) |
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2.806-2.9338 | 0.4292 | 117 | 0.3196 | 2299 | 2416 | 80 | 2.9338-3.088 | 0.3448 | 140 | 0.2764 | 2548 | 2688 | 90 | 3.088-3.2807 | 0.291 | 132 | 0.24 | 2696 | 2828 | 94 | 3.2807-3.5327 | 0.2949 | 149 | 0.2309 | 2731 | 2880 | 96 | 3.5327-3.8858 | 0.262 | 142 | 0.2084 | 2786 | 2928 | 97 | 3.8858-4.4428 | 0.2684 | 155 | 0.1766 | 2778 | 2933 | 98 | 4.4428-5.5773 | 0.2113 | 154 | 0.1729 | 2808 | 2962 | 98 | 5.5773-20.0195 | 0.2643 | 170 | 0.2392 | 2757 | 2927 | 97 |
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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 | 0.2948 | 0.0492 | -0.0981 | 0.0451 | -0.0351 | 0.0414 | 0.215 | 0.051 | -0.0738 | -0.1449 | 0.0293 | -0.0347 | 0.0138 | -0.0335 | 0.351 | 0.2914 | -0.0507 | 0.0092 | 0.1507 | -0.201 | 0.1847 | -12.3778 | -20.9032 | 2.2415 | 2 | 0.1514 | -0.0673 | 0.1794 | 0.2501 | 0.0023 | 0.1706 | -0.0179 | -0.2302 | -0.0036 | 0.1717 | 0.2129 | -0.0294 | 0.1057 | -0.2366 | 0.1302 | 0.2825 | -0.1255 | -0.0966 | 0.3814 | 0.0548 | 0.3618 | -18.8786 | -26.1175 | 8.371 | 3 | 0.0408 | -0.0169 | 0.0522 | 0.0437 | -0.0366 | 0.0546 | 0.0416 | 0.1717 | -0.0447 | 0.1296 | 0.0794 | 0.5834 | 0.2891 | -0.3875 | 0.0125 | 0.3816 | -0.1061 | -0.0963 | 0.4887 | 0.0303 | 0.5242 | -24.7425 | -21.8286 | 7.6278 | 4 | 0.1192 | 0.1395 | -0.1239 | 0.5507 | 0.0432 | 0.1463 | 0.1343 | 0.0566 | -0.2704 | -0.1209 | 0.243 | 0.1293 | 0.2199 | -0.2158 | 0.2355 | 0.344 | -0.0494 | -0.16 | 0.2528 | -0.0268 | 0.3794 | -15.2692 | -30.1816 | 7.2626 | 5 | 0.0721 | -0.045 | -0.01 | 0.4878 | 0.203 | 0.3035 | -0.0669 | -0.1089 | -0.052 | -0.3627 | -0.0149 | 0.0823 | -0.0906 | -0.0449 | -0.0877 | 0.6141 | -0.2284 | 0.0381 | 0.4186 | 0.0126 | 0.227 | 1.4365 | 1.297 | 24.9607 | 6 | 0.0029 | 0.0039 | -0.0051 | 0.0033 | -0.01 | 0.0072 | -0.1063 | -0.0211 | 0.0502 | 0.0141 | 0.0418 | -0.0492 | 0.1045 | 0.0133 | -0.0001 | 0.5595 | -0.0194 | 0.0856 | 0.4079 | 0.1086 | 0.2982 | 7.7067 | -2.2801 | 24.266 | 7 | 0.0041 | -0.0096 | 0.0105 | 0.0452 | -0.0481 | 0.037 | -0.2367 | 0.2016 | 0.1045 | 0.0834 | 0.1836 | -0.0244 | -0.1602 | -0.269 | -0.0003 | 0.5914 | -0.0474 | -0.1177 | 0.4778 | -0.0275 | 0.3722 | 5.328 | -4.6405 | 13.9027 | 8 | 0.0855 | -0.0503 | 0.0893 | 0.326 | -0.1281 | 0.31 | -0.2845 | 0.1865 | -0.0394 | -0.0536 | 0.2688 | 0.0777 | -0.1089 | 0.1113 | 0.4409 | 0.2421 | -0.066 | -0.0768 | 0.3145 | -0.0087 | 0.1298 | 0.0077 | -5.6261 | 22.502 | 9 | 0.0037 | 0.0059 | 0.0002 | 0.0078 | 0.0037 | 0.0063 | -0.0815 | -0.0843 | 0.0227 | -0.0489 | 0.058 | -0.0929 | -0.0335 | 0.0155 | 0.0001 | 0.3957 | -0.1262 | -0.0037 | 0.7523 | 0.2375 | 0.5723 | -11.0345 | -34.8158 | 28.0995 | 10 | 0.0113 | -0.0075 | 0.0197 | 0.0089 | 0.0049 | 0.0294 | -0.0522 | -0.3437 | -0.4879 | -0.0396 | 0.1429 | -0.0462 | 0.1933 | 0.0094 | -0 | 0.5032 | 0.074 | -0.1057 | 0.3759 | 0.0889 | 0.6548 | 4.4519 | -38.4931 | 25.0562 | 11 | 0.0345 | 0.0464 | -0.1035 | 0.0682 | -0.1495 | 0.3141 | 0.1 | -0.1475 | -0.2029 | -0.0191 | 0.0453 | 0.1651 | 0.1517 | -0.1512 | 0.2294 | 0.6393 | -0.2539 | -0.2269 | 0.3583 | 0.3113 | 0.7417 | -13.8665 | -40.5827 | 22.1647 | 12 | 0.0073 | -0.0008 | 0.0085 | 0.0006 | -0.0015 | 0.0082 | 0.0913 | -0.0339 | -0.0211 | -0.0123 | 0.1018 | -0.0163 | 0.009 | 0.0797 | -0.0008 | 0.994 | -0.2194 | -0.0847 | 0.5713 | 0.0075 | 0.764 | -3.3864 | -31.3748 | 10.1062 | 13 | 0.1344 | -0.0528 | -0.1436 | 0.0202 | 0.0542 | 0.1449 | 0.1211 | -0.0633 | 0.0158 | -0.1464 | 0.0265 | -0.0492 | 0.0269 | -0.0355 | 0.08 | 0.8271 | -0.4267 | -0.2971 | 0.37 | 0.4854 | 0.8366 | -12.2786 | -47.2601 | 16.2146 | 14 | 0.0337 | -0.0033 | -0.0107 | 0.0719 | -0.0235 | 0.0171 | 0.0022 | -0.0119 | -0.015 | -0.0932 | -0.0234 | -0.0292 | 0.0857 | 0.0161 | 0.1294 | 0.5861 | -0.0917 | -0.184 | 0.294 | 0.3987 | 1.146 | -6.1212 | -48.5634 | 20.4099 | 15 | 0.0899 | -0.0632 | -0.1305 | 0.1154 | 0.106 | 0.1893 | -0.117 | -0.0456 | -0.0398 | -0.0076 | -0.0277 | 0.0507 | 0.2107 | -0.0619 | -0.2338 | 0.7109 | -0.293 | -0.2416 | 0.5753 | 0.411 | 0.8582 | -10.6462 | -46.2568 | 27.0363 | 16 | 0.0014 | -0.002 | -0.0019 | 0.002 | 0.0017 | 0.0011 | 0.092 | -0.0141 | -0.0685 | -0.0251 | 0.0582 | -0.0299 | 0.0322 | -0.0019 | 0.0003 | 1.063 | -0.0205 | 0.3074 | 0.4247 | -0.1457 | 1.0271 | 6.9202 | -43.8499 | 17.1652 | 17 | 0.5895 | 0.1576 | 0.1607 | 0.0931 | 0.041 | 0.3361 | 0.0725 | 0.0165 | 0.0025 | -0.106 | 0.0966 | 0.0042 | 0.2523 | -0.3035 | -0.2416 | 0.705 | -0.2284 | -0.1312 | 0.1775 | 0.09 | 0.4117 | -12.1714 | -37.5605 | 17.6838 | 18 | 0.3259 | -0.1608 | -0.2171 | 0.2224 | 0.2702 | 0.3212 | 0.0149 | -0.1334 | -0.0197 | 0.1154 | 0.1166 | 0.1342 | 0.0823 | -0.0452 | 0.1091 | 0.425 | -0.1113 | -0.0958 | 0.3132 | 0.1544 | 0.3112 | -15.0696 | -34.3072 | 19.2569 | 19 | 0.0148 | -0.0032 | 0.0096 | 0.0385 | -0.0266 | 0.0162 | -0.1459 | -0.1746 | -0.1515 | -0.0811 | 0.2217 | -0.1173 | 0.0384 | 0.2598 | 0 | 0.4389 | 0.0144 | 0.1888 | 0.4002 | -0.0306 | 0.386 | 13.0156 | -31.3703 | 23.285 | 20 | 0.9698 | -0.676 | 0.0818 | 0.6663 | 0.2807 | 0.5814 | -0.2086 | 0.0597 | -0.1711 | -0.0493 | -0.0448 | -0.0687 | -0.094 | -0.0964 | -0.2937 | 0.2603 | 0.185 | 0.0088 | 0.1779 | -0.1658 | 0.2247 | 7.8943 | -7.0549 | 33.3806 | 21 | 0.2682 | -0.037 | -0.0392 | 0.7684 | -0.1726 | 0.2646 | -0.0227 | -0.0575 | 0.0626 | 0.1502 | -0.0929 | -0.1281 | -0.2896 | 0.3127 | -0.1188 | 0.3117 | 0.014 | -0.0021 | 0.1298 | -0.0172 | 0.0897 | 2.1672 | -1.9148 | 29.7793 | 22 | 0.5583 | 0.4445 | -0.3816 | 0.4234 | -0.1941 | 0.3526 | -0.1732 | 0.1529 | -0.1624 | -0.3107 | 0.0397 | -0.3598 | -0.1614 | -0.0418 | -0.4732 | 0.1929 | 0.0685 | 0.0389 | 0.0246 | -0.1665 | 0.0882 | -1.5191 | -16.9455 | 30.999 | 23 | 0.3396 | -0.1943 | 0.0995 | 0.2355 | 0.1345 | 0.3403 | -0.0187 | -0.0265 | -0.0455 | -0.1465 | -0.126 | -0.1133 | -0.1482 | 0.1557 | -0.2816 | 0.7462 | -0.1032 | 0.3297 | 0.3696 | 0.0143 | 0.4345 | 12.2509 | -19.6741 | 17.7112 | 24 | 0.2798 | 0.2072 | -0.1517 | 0.1829 | 0.0521 | 0.4089 | -0.253 | 0.1965 | -0.071 | -0.1148 | -0.0245 | -0.1013 | -0.1633 | -0.017 | -1.0305 | 0.2821 | 0.0658 | 0.0147 | -0.0733 | -0.2839 | -0.1499 | -0.0091 | -8.7767 | 35.1245 | 25 | 0.1028 | -0.131 | 0.0012 | 0.1588 | -0.0441 | 0.2126 | -0.178 | -0.0088 | -0.2797 | -0.1253 | -0.0797 | -0.3409 | 0.1198 | 0.0886 | -0.38 | 0.1675 | 0.1811 | 0.0955 | 0.3672 | -0.039 | 0.3598 | 15.381 | -33.3565 | 32.721 | 26 | 0.4219 | 0.2475 | 0.1774 | 0.8595 | 0.0556 | 0.4776 | 0.0344 | -0.0369 | -0.1468 | -0.0013 | -0.0505 | -0.0807 | 0.0874 | 0.0833 | -0.026 | 0.392 | 0.01 | -0.0323 | 0.3146 | -0.0326 | 0.0078 | 4.6928 | -9.0261 | 40.3592 | 27 | 0.5659 | -0.0282 | -0.9618 | 0.1716 | 0.0371 | 1.6598 | -0.2967 | 0.1064 | 0.115 | 0.154 | -0.1606 | 0.1677 | 0.3314 | 0.0753 | -0.3972 | 0.122 | 0.0275 | -0.0974 | 0.351 | -0.0945 | 0.3271 | -13.109 | -8.3804 | -0.6347 | 28 | 0.4802 | 0.0652 | -0.5788 | 0.0092 | -0.058 | 0.6876 | 0.2519 | 0.1342 | 0.3717 | -0.1733 | 0.3586 | 0.3168 | -0.2449 | -0.3808 | 0.1444 | 0.1619 | 0.1207 | -0.0303 | 0.422 | 0.14 | 0.4609 | -19.5429 | 2.1306 | -3.9296 | 29 | 0.6728 | 0.0909 | 0.4146 | 0.8026 | 0.5724 | 0.5979 | 0.1913 | 0.1949 | -0.0893 | -0.0949 | 0.1744 | -0.1978 | 0.017 | 0.206 | 0.5646 | -0.0112 | -0.0336 | -0.1365 | 0.388 | 0.2228 | 0.3335 | -17.6802 | -0.4737 | -12.4033 | 30 | 0.0033 | -0.0184 | 0.0299 | 0.2503 | -0.3014 | 0.3743 | -0.052 | -0.1994 | 0.2319 | -0.1573 | -0.1985 | 0.2366 | 0.1691 | -0.1417 | 0.0032 | 0.1962 | 0.0206 | 0.0588 | 0.5257 | 0.014 | 0.5946 | -24.0472 | -3.8991 | -5.3429 | 31 | 0.1736 | 0.113 | -0.1814 | 0.0803 | -0.1358 | 0.2445 | 0.0418 | 0.1676 | 0.3157 | -0.2481 | 0.1831 | 0.3849 | -0.236 | -0.1587 | 0.0259 | 0.1404 | 0.0263 | -0.0361 | 0.2906 | 0.0035 | 0.2339 | -14.2437 | -1.2066 | -7.8103 | 32 | 0.0591 | -0.025 | -0.0113 | 0.026 | -0.0377 | 0.1137 | 0.0647 | -0.0714 | -0.0941 | 0.0308 | 0.0158 | -0.0683 | 0.0222 | 0.0015 | 0.111 | 0.167 | -0.1176 | -0.0518 | 0.3254 | 0.1968 | 0.6391 | -17.7715 | 14.174 | -3.2023 | 33 | 0.2017 | 0.092 | 0.3305 | 0.0397 | 0.1316 | 0.7431 | 0.1346 | 0.2096 | 0.0506 | 0.1623 | 0.2041 | -0.0448 | 0.1948 | -0.1418 | 0.1571 | 0.3257 | 0.021 | 0.0158 | 0.3053 | 0.123 | 0.4907 | -8.4164 | -6.0182 | -2.0607 | 34 | 0.0049 | 0.0005 | 0.0017 | 0.0034 | -0.0035 | 0.0027 | -0.0966 | 0.0305 | -0.009 | -0.0203 | -0.0243 | 0.0303 | 0.0913 | -0.0803 | -0 | 0.4684 | 0.003 | -0.0821 | 0.3504 | -0.2119 | 0.7015 | -2.657 | -26.9153 | -10.1113 | 35 | 0.043 | -0.0685 | -0.0386 | 0.1749 | 0.2478 | 0.5658 | -0.072 | -0.1652 | -0.1178 | -0.1153 | 0.2932 | 0.0763 | 0.152 | 0.1212 | 0.2815 | 0.461 | 0.1784 | 0.169 | 0.5127 | 0.192 | 0.4494 | 17.717 | -24.09 | -7.5001 | 36 | 0.0033 | 0.0183 | -0.0053 | 0.1024 | -0.0329 | 0.0358 | -0.0262 | 0.0051 | -0.0129 | -0.0007 | -0.0206 | -0.0383 | 0.0285 | 0.0302 | -0.078 | 0.4131 | 0.0297 | -0.0398 | 0.2747 | 0.3007 | 0.4376 | 19.9112 | -19.8677 | -3.9453 | 37 | 0.002 | -0.0025 | 0.0027 | 0.0053 | -0.0035 | 0.0037 | -0.0357 | 0.0264 | -0.0388 | 0.0033 | 0.3235 | 0.0672 | 0.0424 | -0.0271 | 0.0002 | 0.4588 | -0.105 | 0.0285 | 0.266 | -0.0094 | 0.4547 | 6.2646 | -25.0498 | -4.7435 | 38 | 0.0808 | 0.0454 | -0.0502 | 0.0489 | -0.0199 | 0.0337 | 0.0193 | 0.0341 | 0.0134 | -0.0104 | -0.0057 | 0.0978 | -0.0301 | -0.1095 | 0.001 | 0.2882 | 0.2364 | 0.0958 | 0.6511 | 0.003 | 0.7579 | 0.6773 | -22.4074 | 0.6082 | 39 | 0.0396 | -0.0029 | 0.0066 | 0.0271 | -0.004 | 0.0026 | -0.0326 | 0.0423 | -0.0188 | -0.006 | -0.0635 | 0.0094 | -0.0165 | -0.0181 | -0 | 0.6926 | -0.109 | 0.1116 | 0.7178 | -0.1051 | 0.8354 | 8.7719 | -13.5307 | 5.8875 | 40 | 0.0176 | -0.0417 | 0.0151 | 0.2163 | -0.1168 | 0.0696 | -0.0137 | -0.0588 | 0.0224 | 0.0348 | -0.079 | -0.0416 | 0.0991 | 0.099 | -0.0702 | 0.6352 | 0.0017 | -0.2804 | 0.5385 | 0.1469 | 0.325 | 17.6726 | -13.3865 | 6.4829 | 41 | 0.1204 | 0.0151 | -0.1394 | 0.015 | 0.0608 | 0.6889 | -0.0568 | 0.1039 | 0.0365 | 0.0238 | 0.1434 | 0.0968 | 0.0021 | -0.1276 | 0.0166 | 0.4343 | 0.0157 | -0.0952 | 0.2235 | -0.002 | 0.4674 | 5.2101 | -17.0382 | -9.0105 | 42 | 0.0108 | -0.0098 | -0.0091 | 0.0082 | 0.0064 | 0.0048 | -0.0087 | 0.0976 | 0.1353 | 0.017 | 0.2935 | -0.1243 | 0.0785 | -0.0905 | 0.0001 | 0.3773 | -0.1212 | 0.0417 | 0.4628 | 0.0301 | 0.3342 | 3.0607 | -21.9099 | -16.2596 | 43 | 0.1211 | 0.0258 | -0.0642 | 0.0687 | 0.1794 | 0.6328 | -0.0612 | 0.078 | -0.0994 | 0.0403 | -0.0478 | 0.1069 | 0.0964 | -0.183 | -0.0139 | 0.3685 | 0.0189 | -0.0605 | 0.1531 | 0.0068 | 0.3076 | 18.5099 | -15.6678 | 0.0657 | 44 | 0.0193 | -0.0014 | 0.006 | -0.0002 | 0 | 0.008 | 0.0306 | -0.036 | 0.0628 | -0.0047 | 0.0978 | -0.0552 | -0.0312 | 0.0682 | -0.0002 | 0.5938 | 0.0691 | -0.1886 | 0.1903 | 0.0298 | 0.6897 | 23.6864 | -22.2216 | 4.3488 | 45 | 0.2161 | 0.0247 | -0.041 | 0.0462 | 0.0347 | 0.0412 | -0.2744 | 0.0241 | -0.1212 | 0.2285 | -0.2043 | -0.1547 | -0.0003 | 0.0263 | -0.0076 | 0.7551 | 0.0493 | -0.138 | 0.6693 | 0.1195 | 0.3824 | 11.3377 | -24.9277 | 5.5491 | 46 | 0.0388 | -0.0183 | 0.0313 | 0.013 | 0.0127 | 0.1846 | -0.1445 | -0.0076 | -0.0712 | 0.0627 | -0.0754 | 0.1527 | 0.1126 | -0.0972 | -0.0007 | 0.6226 | 0.0375 | 0.1189 | 0.2159 | -0.1071 | 0.6407 | 11.4304 | -33.128 | -1.0177 | 47 | 0.0268 | 0.0208 | 0.0136 | 0.0165 | 0.0105 | 0.0059 | 0.0084 | 0.1694 | -0.0116 | -0.0111 | 0.0119 | -0.0168 | 0.0714 | 0.0259 | 0.0141 | 0.2888 | 0.1187 | 0.0878 | 0.5285 | 0.1835 | 0.287 | -0.1029 | 10.8346 | -18.4553 | 48 | 0.629 | 0.3373 | 0.4788 | 0.4031 | 0.0681 | 0.5459 | 0.0057 | 0.2458 | -0.0969 | -0.0447 | 0.2848 | -0.0812 | -0.0597 | -0.0785 | 0.2438 | 0.1308 | 0.0335 | 0.0633 | 0.3603 | 0.0317 | 0.3521 | 10.2601 | 15.3496 | -6.843 | 49 | 0.3442 | 0.1125 | -0.1426 | 0.2289 | -0.2694 | 0.3241 | 0.0659 | -0.1221 | 0.0798 | 0.1734 | 0.0413 | 0.0122 | -0.2211 | -0.1051 | 0.0771 | 0.5418 | -0.0518 | -0.0518 | 0.6262 | 0.3291 | 0.4151 | -6.6677 | 16.2665 | -19.6335 | 50 | 0.0882 | -0.0106 | 0.0718 | 0.1251 | 0.1372 | 0.4462 | 0.1428 | -0.0709 | 0.0587 | -0.0419 | 0.2358 | 0.1911 | -0.0377 | -0.1568 | 0.4291 | 0.2828 | 0.0293 | 0.1117 | 0.259 | 0.2076 | 0.5422 | -5.0844 | 10.809 | -4.1876 | 51 | 0.1053 | -0.1063 | 0.0781 | 0.427 | -0.2799 | 0.1815 | -0.0233 | -0.0483 | -0.0082 | 0.0331 | 0.0126 | 0.0672 | 0.0023 | -0.0179 | -0.0966 | 0.0331 | 0.084 | 0.1916 | 0.3096 | 0.2577 | 0.9424 | -8.2876 | 18.2458 | -5.1609 | 52 | 0.1165 | -0.0997 | 0.0825 | 0.087 | -0.056 | 0.1186 | -0.039 | -0.1028 | 0.029 | -0.0211 | -0.0009 | 0.1057 | -0.02 | 0.0044 | -0.1148 | 0.2843 | -0.0698 | -0.1344 | 0.745 | 0.6288 | 0.8637 | -10.5795 | 25.5228 | -11.0185 | 53 | 0.4359 | 0.2988 | -0.4321 | 0.2188 | -0.2703 | 0.6736 | 0.2371 | 0.3257 | 0.573 | 0.2288 | 0.2113 | 0.6579 | -0.1547 | -0.332 | 0.6469 | 0.2869 | 0.0216 | 0.1605 | 0.0692 | 0.3497 | 0.3479 | 1.0488 | 19.4415 | -8.2598 | 54 | 0.0749 | -0.0414 | -0.0392 | 0.025 | 0.0252 | 0.0228 | -0.0352 | 0.0061 | -0.0125 | -0.0268 | -0.0092 | -0.0196 | 0.0272 | -0.0023 | -0.1924 | 0.2133 | -0.0299 | 0.0029 | 0.3772 | 0.3963 | 0.6563 | -17.587 | 13.4905 | -15.9776 | 55 | 0.4524 | -0.0406 | -0.1074 | 0.5468 | -0.2802 | 0.9282 | 0.059 | -0.0167 | 0.2366 | 0.0724 | 0.2706 | 0.1198 | -0.0399 | -0.175 | 0.6794 | -0.009 | 0.2131 | -0.0261 | 0.177 | 0.0928 | 0.1455 | 7.6415 | 9.8362 | -4.5593 | 56 | 1.3575 | 0.0489 | -0.1788 | 0.2678 | -0.0733 | 2.2417 | -0.5254 | -0.0563 | -0.2269 | -0.2036 | -0.3867 | 0.0631 | 0.3548 | -0.1687 | -2.1337 | 0.1022 | -0.0023 | -0.1228 | 0.1781 | -0.227 | -0.3303 | 16.9854 | -12.8803 | -10.8941 | 57 | 0.3076 | -0.1177 | -0.2749 | 0.098 | 0.1959 | 0.5361 | 0.1047 | 0.0221 | 0.0608 | 0.3443 | -0.0962 | 0.1826 | -0.1119 | -0.1966 | -0.032 | 0.4503 | -0.0074 | 0.0268 | 0.1412 | -0.0468 | 0.0717 | 12.7132 | -6.1819 | -5.4436 | 58 | 0.3744 | 0.2326 | -0.2216 | 0.2092 | -0.3183 | 0.4972 | -0.1275 | -0.2568 | -0.1828 | -0.2754 | -0.2595 | -0.1313 | 0.0686 | 0.2508 | -0.8327 | 0.1406 | 0.0202 | 0.0207 | -0.0947 | -0.2965 | -0.03 | 20.0071 | -4.4362 | -13.5 | 59 | 0.0278 | 0.0543 | 0.0126 | 0.1391 | 0.031 | 0.0345 | -0.0509 | 0.1005 | -0.218 | 0.0144 | -0.1147 | -0.029 | 0.0994 | -0.0292 | -0.1864 | 0.1277 | 0.2122 | 0.3068 | 0.0943 | -0.0216 | 0.3554 | 23.8569 | -13.5715 | -17.98 |
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精密化 TLSグループ | 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 (RESSEQ 1:13)A1 - 13 | 2 | X-RAY DIFFRACTION | 2 | CHAIN A AND (RESSEQ 14:50)A14 - 50 | 3 | X-RAY DIFFRACTION | 3 | CHAIN A AND (RESSEQ 51:84)A51 - 84 | 4 | X-RAY DIFFRACTION | 4 | CHAIN A AND (RESSEQ 85:112)A85 - 112 | 5 | X-RAY DIFFRACTION | 5 | CHAIN A AND (RESSEQ 113:130)A113 - 130 | 6 | X-RAY DIFFRACTION | 6 | CHAIN A AND (RESSEQ 133:139)A133 - 139 | 7 | X-RAY DIFFRACTION | 7 | CHAIN A AND (RESSEQ 140:154)A140 - 154 | 8 | X-RAY DIFFRACTION | 8 | CHAIN A AND (RESSEQ 155:181)A155 - 181 | 9 | X-RAY DIFFRACTION | 9 | CHAIN B AND (RESSEQ 3:7)B3 - 7 | 10 | X-RAY DIFFRACTION | 10 | CHAIN B AND (RESSEQ 8:21)B8 - 21 | 11 | X-RAY DIFFRACTION | 11 | CHAIN B AND (RESSEQ 22:36)B22 - 36 | 12 | X-RAY DIFFRACTION | 12 | CHAIN B AND (RESSEQ 37:43)B37 - 43 | 13 | X-RAY DIFFRACTION | 13 | CHAIN B AND (RESSEQ 44:55)B44 - 55 | 14 | X-RAY DIFFRACTION | 14 | CHAIN B AND (RESSEQ 63:68)B63 - 68 | 15 | X-RAY DIFFRACTION | 15 | CHAIN B AND ( | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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