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-2000 | | data processingPHENIX | | 精密化 | | |
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精密化 | 構造決定の手法: 分子置換 開始モデル: 3TB4 解像度: 2.1→42.419 Å / SU ML: 0.19 / 交差検証法: NONE / σ(F): 1.34 / 位相誤差: 24.37
| Rfactor | 反射数 | %反射 |
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Rfree | 0.2299 | 2313 | 5.1 % |
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Rwork | 0.2063 | - | - |
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obs | 0.2075 | 39346 | 99.77 % |
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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: 2.1→42.419 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 3304 | 0 | 0 | 187 | 3491 |
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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_d0.007 | 3386 | X-RAY DIFFRACTION | f_angle_d0.951 | 4617 | X-RAY DIFFRACTION | f_dihedral_angle_d15.918 | 2043 | X-RAY DIFFRACTION | f_chiral_restr0.064 | 530 | X-RAY DIFFRACTION | f_plane_restr0.006 | 589 | | | | | |
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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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2.0001-2.0409 | 0.2925 | 127 | 0.2415 | 2493 | X-RAY DIFFRACTION | 99 | 2.0409-2.0853 | 0.3253 | 130 | 0.2685 | 2497 | X-RAY DIFFRACTION | 99 | 2.0853-2.1338 | 0.2408 | 145 | 0.2184 | 2495 | X-RAY DIFFRACTION | 100 | 2.1338-2.1872 | 0.2553 | 135 | 0.2034 | 2516 | X-RAY DIFFRACTION | 100 | 2.1872-2.2463 | 0.2571 | 134 | 0.2084 | 2488 | X-RAY DIFFRACTION | 100 | 2.2463-2.3124 | 0.2196 | 145 | 0.2107 | 2494 | X-RAY DIFFRACTION | 100 | 2.3124-2.387 | 0.2238 | 142 | 0.1878 | 2524 | X-RAY DIFFRACTION | 100 | 2.387-2.4723 | 0.2492 | 152 | 0.1982 | 2515 | X-RAY DIFFRACTION | 100 | 2.4723-2.5713 | 0.2662 | 148 | 0.2051 | 2507 | X-RAY DIFFRACTION | 100 | 2.5713-2.6883 | 0.2447 | 131 | 0.2069 | 2536 | X-RAY DIFFRACTION | 100 | 2.6883-2.83 | 0.2669 | 109 | 0.2174 | 2549 | X-RAY DIFFRACTION | 100 | 2.83-3.0073 | 0.2252 | 140 | 0.2244 | 2513 | X-RAY DIFFRACTION | 100 | 3.0073-3.2394 | 0.2585 | 128 | 0.2305 | 2564 | X-RAY DIFFRACTION | 100 | 3.2394-3.5653 | 0.2267 | 136 | 0.2129 | 2528 | X-RAY DIFFRACTION | 100 | 3.5653-4.0808 | 0.2072 | 126 | 0.1891 | 2573 | X-RAY DIFFRACTION | 100 | 4.0808-5.14 | 0.172 | 150 | 0.1794 | 2566 | X-RAY DIFFRACTION | 100 | 5.14-42.4286 | 0.2278 | 135 | 0.2013 | 2672 | X-RAY DIFFRACTION | 100 |
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精密化 TLS | 手法: refined / Origin x: 65.7687 Å / Origin y: -14.1 Å / Origin z: 8.1489 Å
| 11 | 12 | 13 | 21 | 22 | 23 | 31 | 32 | 33 |
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T | 0.1996 Å2 | -0.0084 Å2 | -0.0001 Å2 | - | 0.1011 Å2 | 0.0045 Å2 | - | - | 0.2161 Å2 |
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L | 1.1362 °2 | -0.1024 °2 | -0.0069 °2 | - | 1.3173 °2 | 0.1053 °2 | - | - | 0.6167 °2 |
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S | 0.0004 Å ° | 0.0741 Å ° | -0.0695 Å ° | -0.1287 Å ° | -0.0138 Å ° | 0.1315 Å ° | 0.0906 Å ° | -0.0368 Å ° | 0.0102 Å ° |
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精密化 TLSグループ | Selection details: all |
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