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 | iMOSFLM | | データ削減 | SCALA | | 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 開始モデル: 3X2D 解像度: 2→50 Å / SU ML: 0.15 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 19.96
| Rfactor | 反射数 | %反射 |
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Rfree | 0.1938 | 2448 | 4.92 % |
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Rwork | 0.1712 | - | - |
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obs | 0.1724 | 49744 | 99.94 % |
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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: 2→50 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 3267 | 0 | 1 | 544 | 3812 |
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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 | 3349 | X-RAY DIFFRACTION | f_angle_d0.846 | 4559 | X-RAY DIFFRACTION | f_dihedral_angle_d12.937 | 1188 | X-RAY DIFFRACTION | f_chiral_restr0.031 | 515 | X-RAY DIFFRACTION | f_plane_restr0.004 | 578 | | | | | |
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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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2-2.0408 | 0.2352 | 114 | 0.1999 | 2770 | X-RAY DIFFRACTION | 100 | 2.0408-2.0852 | 0.246 | 153 | 0.1951 | 2733 | X-RAY DIFFRACTION | 100 | 2.0852-2.1337 | 0.2253 | 132 | 0.1847 | 2778 | X-RAY DIFFRACTION | 100 | 2.1337-2.1871 | 0.1858 | 123 | 0.1848 | 2779 | X-RAY DIFFRACTION | 100 | 2.1871-2.2462 | 0.2122 | 143 | 0.1814 | 2745 | X-RAY DIFFRACTION | 100 | 2.2462-2.3123 | 0.21 | 159 | 0.1818 | 2730 | X-RAY DIFFRACTION | 100 | 2.3123-2.387 | 0.1931 | 133 | 0.187 | 2774 | X-RAY DIFFRACTION | 100 | 2.387-2.4723 | 0.2543 | 140 | 0.1847 | 2774 | X-RAY DIFFRACTION | 100 | 2.4723-2.5713 | 0.2008 | 153 | 0.1961 | 2761 | X-RAY DIFFRACTION | 100 | 2.5713-2.6883 | 0.2266 | 156 | 0.2034 | 2755 | X-RAY DIFFRACTION | 100 | 2.6883-2.83 | 0.2061 | 142 | 0.2005 | 2783 | X-RAY DIFFRACTION | 100 | 2.83-3.0073 | 0.2161 | 159 | 0.1976 | 2766 | X-RAY DIFFRACTION | 100 | 3.0073-3.2394 | 0.2251 | 125 | 0.186 | 2805 | X-RAY DIFFRACTION | 100 | 3.2394-3.5654 | 0.1811 | 139 | 0.1528 | 2814 | X-RAY DIFFRACTION | 100 | 3.5654-4.0811 | 0.1596 | 157 | 0.1418 | 2783 | X-RAY DIFFRACTION | 100 | 4.0811-5.141 | 0.1425 | 143 | 0.1292 | 2847 | X-RAY DIFFRACTION | 100 | 5.141-50.9258 | 0.1987 | 177 | 0.1758 | 2899 | X-RAY DIFFRACTION | 99 |
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精密化 TLS | 手法: refined / Origin x: 43.4012 Å / Origin y: -29.7811 Å / Origin z: -32.604 Å
| 11 | 12 | 13 | 21 | 22 | 23 | 31 | 32 | 33 |
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T | 0.1303 Å2 | -0.0462 Å2 | 0.0107 Å2 | - | 0.2042 Å2 | -0.0075 Å2 | - | - | 0.1967 Å2 |
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L | 0.2279 °2 | -0.3405 °2 | -0.1069 °2 | - | 1.4761 °2 | 0.4937 °2 | - | - | 1.0926 °2 |
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S | -0.0021 Å ° | 0.0519 Å ° | -0.0037 Å ° | -0.0243 Å ° | -0.0557 Å ° | 0.0472 Å ° | 0.0577 Å ° | -0.0922 Å ° | 0.0448 Å ° |
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精密化 TLSグループ | Selection details: all |
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