ソフトウェア | 名称 | バージョン | 分類 |
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SCALEPACK | | データスケーリング | REFMAC | v1.0精密化 | PDB_EXTRACT | 3.27 | データ抽出 | PHASER | | 位相決定 | |
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精密化 | 構造決定の手法: 分子置換 開始モデル: 2AMA 解像度: 1.551→33.612 Å / SU ML: 0.14 / 交差検証法: THROUGHOUT / σ(F): 1.34 / 位相誤差: 16.06 / 立体化学のターゲット値: ML
| Rfactor | 反射数 | %反射 |
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Rfree | 0.1688 | 2000 | 3.87 % |
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Rwork | 0.1529 | - | - |
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obs | 0.1536 | 51728 | 99.85 % |
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溶媒の処理 | 減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL |
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原子変位パラメータ | Biso max: 122.13 Å2 / Biso mean: 25.7449 Å2 / Biso min: 9.71 Å2 |
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精密化ステップ | サイクル: final / 解像度: 1.551→33.612 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 2125 | 0 | 94 | 242 | 2461 |
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Biso mean | - | - | 31.27 | 38.67 | - |
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残基数 | - | - | - | - | 258 |
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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 | 7.8142 | 2.8614 | -5.903 | 7.2968 | -4.8144 | 9.6689 | -0.0675 | 0.4545 | -0.1377 | -0.313 | 0.1406 | -0.5857 | -0.2615 | 0.344 | 0.0086 | 0.1421 | -0.0582 | 0.005 | 0.2323 | -0.0514 | 0.203 | 14.8418 | -23.173 | 9.9337 | 2 | 1.5263 | 0.3672 | -0.0836 | 1.8828 | 0.257 | 1.2612 | 0.0507 | -0.1226 | -0.1042 | 0.0839 | -0.0331 | -0.053 | 0.088 | 0.0648 | -0.0159 | 0.0897 | 0.011 | -0.0196 | 0.1359 | 0.0087 | 0.1179 | -1.8997 | -29.8883 | 19.4653 | 3 | 1.7546 | -0.0108 | -0.3404 | 1.1927 | -0.6641 | 4.8941 | -0.0055 | 0.1115 | -0.2554 | -0.0862 | 0 | 0.063 | 0.2755 | -0.1726 | 0.0135 | 0.157 | -0.0184 | -0.0261 | 0.1117 | -0.0409 | 0.1485 | -9.4864 | -38.847 | 8.3862 | 4 | 4.6745 | -1.8568 | -2.1758 | 7.9304 | 4.1182 | 7.1075 | -0.0191 | 0.2169 | -0.1185 | -0.1385 | 0.1118 | -0.2795 | 0.0816 | 0.2285 | -0.0954 | 0.0577 | -0.0258 | -0.013 | 0.146 | -0.0134 | 0.103 | 4.8183 | -25.6565 | 6.6322 | 5 | 4.3782 | -1.099 | -1.9581 | 4.4936 | 1.4651 | 4.3837 | -0.0776 | 0.2612 | 0.225 | -0.2463 | 0.093 | -0.194 | -0.1345 | 0.092 | -0.0568 | 0.1023 | -0.0153 | -0.0264 | 0.1458 | 0.023 | 0.1189 | 4.5366 | -13.4464 | 8.0101 | 6 | 6.1289 | 0.9589 | -4.885 | 1.5169 | -1.0992 | 6.6982 | 0.0544 | 0.4355 | 0.1051 | -0.2555 | 0.031 | 0.0949 | -0.1546 | -0.0682 | -0.148 | 0.1395 | -0.0043 | -0.0452 | 0.16 | -0.012 | 0.1113 | -7.8555 | -23.5707 | 5.878 | 7 | 3.7602 | 0.9001 | 1.8105 | 3.5644 | 0.3581 | 1.5899 | 0.1117 | -0.2963 | -0.0333 | 0.3712 | -0.134 | 0.057 | 0.0141 | -0.1015 | 0.0189 | 0.1091 | 0.0149 | 0.0328 | 0.1797 | -0.0113 | 0.1083 | -14.5387 | -26.0009 | 26.0188 | 8 | 2.6221 | -1.2776 | 1.2014 | 3.4826 | 1.8169 | 2.8071 | 0.5889 | 0.7099 | 0.59 | -0.5015 | -0.0076 | -0.2291 | -0.4171 | -0.1058 | -0.5001 | 0.2048 | 0.0426 | 0.0216 | 0.2856 | 0.0201 | 0.2242 | -9.2056 | -13.3659 | 8.4631 | 9 | 7.4568 | 1.7175 | 0.2334 | 6.1166 | -1.2841 | 6.8507 | 0.0061 | -0.1299 | 0.0349 | 0.2588 | -0.0635 | -0.5126 | -0.1285 | 0.7414 | 0.0447 | 0.1651 | -0.0101 | -0.0386 | 0.2479 | -0.0122 | 0.1285 | 3.6013 | -20.4944 | 31.2012 |
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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 (resid 670 through 680 )A670 - 680 | 2 | X-RAY DIFFRACTION | 2 | chain 'A' and (resid 681 through 757 )A681 - 757 | 3 | X-RAY DIFFRACTION | 3 | chain 'A' and (resid 758 through 797 )A758 - 797 | 4 | X-RAY DIFFRACTION | 4 | chain 'A' and (resid 798 through 813 )A798 - 813 | 5 | X-RAY DIFFRACTION | 5 | chain 'A' and (resid 814 through 848 )A814 - 848 | 6 | X-RAY DIFFRACTION | 6 | chain 'A' and (resid 849 through 882 )A849 - 882 | 7 | X-RAY DIFFRACTION | 7 | chain 'A' and (resid 883 through 907 )A883 - 907 | 8 | X-RAY DIFFRACTION | 8 | chain 'A' and (resid 908 through 917 )A908 - 917 | 9 | X-RAY DIFFRACTION | 9 | chain 'D' and (resid 743 through 753 )D743 - 753 | | | | | | | | | | | | | | | | | | |
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