ソフトウェア | 名称 | バージョン | 分類 |
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PHENIX | (1.10.1_2155: ???)精密化 | HKL-3000 | | 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: 4XAV 解像度: 1.429→38.257 Å / SU ML: 0.13 / 交差検証法: FREE R-VALUE / σ(F): 1.35 / 位相誤差: 17.34 / 立体化学のターゲット値: ML
| Rfactor | 反射数 | %反射 |
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Rfree | 0.169 | 2407 | 5.06 % |
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Rwork | 0.1501 | - | - |
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obs | 0.151 | 47611 | 99.78 % |
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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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精密化ステップ | サイクル: LAST / 解像度: 1.429→38.257 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 1984 | 0 | 61 | 335 | 2380 |
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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_d0.009 | 2114 | X-RAY DIFFRACTION | f_angle_d1.096 | 2870 | X-RAY DIFFRACTION | f_dihedral_angle_d18.994 | 754 | X-RAY DIFFRACTION | f_chiral_restr0.097 | 318 | X-RAY DIFFRACTION | f_plane_restr0.007 | 361 | | | | | |
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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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1.4295-1.4587 | 0.2392 | 130 | 0.2196 | 2581 | X-RAY DIFFRACTION | 98 | 1.4587-1.4904 | 0.2547 | 127 | 0.2138 | 2624 | X-RAY DIFFRACTION | 100 | 1.4904-1.5251 | 0.2307 | 154 | 0.2029 | 2617 | X-RAY DIFFRACTION | 100 | 1.5251-1.5632 | 0.2477 | 149 | 0.1834 | 2640 | X-RAY DIFFRACTION | 100 | 1.5632-1.6055 | 0.201 | 125 | 0.1727 | 2624 | X-RAY DIFFRACTION | 100 | 1.6055-1.6527 | 0.1955 | 146 | 0.1744 | 2648 | X-RAY DIFFRACTION | 100 | 1.6527-1.7061 | 0.2219 | 134 | 0.163 | 2626 | X-RAY DIFFRACTION | 100 | 1.7061-1.767 | 0.1932 | 143 | 0.1634 | 2644 | X-RAY DIFFRACTION | 100 | 1.767-1.8378 | 0.1803 | 146 | 0.1586 | 2626 | X-RAY DIFFRACTION | 100 | 1.8378-1.9214 | 0.1889 | 151 | 0.146 | 2640 | X-RAY DIFFRACTION | 100 | 1.9214-2.0227 | 0.1713 | 130 | 0.1414 | 2673 | X-RAY DIFFRACTION | 100 | 2.0227-2.1494 | 0.1574 | 144 | 0.1422 | 2655 | X-RAY DIFFRACTION | 100 | 2.1494-2.3154 | 0.1494 | 147 | 0.1371 | 2648 | X-RAY DIFFRACTION | 100 | 2.3154-2.5483 | 0.1857 | 151 | 0.1471 | 2684 | X-RAY DIFFRACTION | 100 | 2.5483-2.917 | 0.1782 | 142 | 0.1516 | 2693 | X-RAY DIFFRACTION | 100 | 2.917-3.6746 | 0.1389 | 134 | 0.1363 | 2731 | X-RAY DIFFRACTION | 100 | 3.6746-38.2709 | 0.1529 | 154 | 0.1474 | 2850 | X-RAY DIFFRACTION | 100 |
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精密化 TLS | 手法: refined / Origin x: -9.3235 Å / Origin y: -9.9355 Å / Origin z: 13.3087 Å
| 11 | 12 | 13 | 21 | 22 | 23 | 31 | 32 | 33 |
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T | 0.1562 Å2 | 0.014 Å2 | -0.0193 Å2 | - | 0.1169 Å2 | -0.0124 Å2 | - | - | 0.1515 Å2 |
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L | 1.1877 °2 | -0.2038 °2 | -0.0985 °2 | - | 1.0568 °2 | 0.3497 °2 | - | - | 1.4812 °2 |
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S | -0.018 Å ° | 0.001 Å ° | 0.0551 Å ° | 0.1413 Å ° | -0.0186 Å ° | -0.0325 Å ° | 0.0226 Å ° | -0.0188 Å ° | 0.0356 Å ° |
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精密化 TLSグループ | Selection details: all |
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