ソフトウェア | 名称 | バージョン | 分類 |
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PHENIX | 1.9_1692精密化 | XDS | | データ削減 | XSCALE | | データスケーリング | MOLREP | | 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: 3dvz 解像度: 0.851→29.51 Å / 交差検証法: FREE R-VALUE / σ(F): 1.37 / 位相誤差: 18.78
| Rfactor | 反射数 | %反射 |
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Rfree | 0.1682 | 2870 | 5.03 % |
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Rwork | 0.1453 | - | - |
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obs | 0.1587 | 57106 | 99.57 % |
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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 |
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精密化ステップ | サイクル: LAST / 解像度: 0.851→29.51 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 0 | 581 | 0 | 211 | 792 |
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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_d0.006 | 707 | X-RAY DIFFRACTION | f_angle_d1.123 | 1107 | X-RAY DIFFRACTION | f_dihedral_angle_d12.481 | 347 | X-RAY DIFFRACTION | f_chiral_restr0.047 | 147 | X-RAY DIFFRACTION | f_plane_restr0.013 | 30 | | | | | |
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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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0.8509-0.8655 | 0.4468 | 136 | 0.4112 | 2577 | X-RAY DIFFRACTION | 89 | 0.8655-0.8813 | 0.4058 | 139 | 0.3646 | 2649 | X-RAY DIFFRACTION | 93 | 0.8813-0.8982 | 0.3515 | 143 | 0.3392 | 2711 | X-RAY DIFFRACTION | 95 | 0.8982-0.9166 | 0.318 | 143 | 0.318 | 2720 | X-RAY DIFFRACTION | 95 | 0.9166-0.9365 | 0.2962 | 142 | 0.2824 | 2694 | X-RAY DIFFRACTION | 95 | 0.9365-0.9583 | 0.2613 | 145 | 0.2649 | 2751 | X-RAY DIFFRACTION | 95 | 0.9583-0.9822 | 0.239 | 143 | 0.2282 | 2721 | X-RAY DIFFRACTION | 95 | 0.9822-1.0088 | 0.2014 | 142 | 0.2074 | 2687 | X-RAY DIFFRACTION | 95 | 1.0088-1.0385 | 0.1919 | 143 | 0.1894 | 2732 | X-RAY DIFFRACTION | 95 | 1.0385-1.072 | 0.1845 | 142 | 0.1776 | 2699 | X-RAY DIFFRACTION | 95 | 1.072-1.1103 | 0.1878 | 144 | 0.1803 | 2725 | X-RAY DIFFRACTION | 95 | 1.1103-1.1548 | 0.1693 | 143 | 0.177 | 2721 | X-RAY DIFFRACTION | 95 | 1.1548-1.2073 | 0.1958 | 143 | 0.1767 | 2722 | X-RAY DIFFRACTION | 95 | 1.2073-1.271 | 0.1628 | 144 | 0.1767 | 2740 | X-RAY DIFFRACTION | 95 | 1.271-1.3506 | 0.174 | 145 | 0.1724 | 2736 | X-RAY DIFFRACTION | 95 | 1.3506-1.4549 | 0.1821 | 141 | 0.1706 | 2695 | X-RAY DIFFRACTION | 95 | 1.4549-1.6013 | 0.1583 | 145 | 0.1621 | 2740 | X-RAY DIFFRACTION | 95 | 1.6013-1.833 | 0.1436 | 144 | 0.135 | 2740 | X-RAY DIFFRACTION | 95 | 1.833-2.3092 | 0.1544 | 143 | 0.1365 | 2725 | X-RAY DIFFRACTION | 95 | 2.3092-27.5609 | 0.179 | 146 | 0.1034 | 2761 | X-RAY DIFFRACTION | 95 |
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