ソフトウェア | 名称 | バージョン | 分類 |
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PHENIX | 1.17.1_3660精密化 | HKL-2000 | | データ削減 | HKL-2000 | | 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 / 解像度: 1.33→29.43 Å / SU ML: 0.1788 / 交差検証法: FREE R-VALUE / σ(F): 1.33 / 位相誤差: 28.8462 立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
| Rfactor | 反射数 | %反射 |
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Rfree | 0.2241 | 3643 | 9.91 % |
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Rwork | 0.1871 | 33122 | - |
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obs | 0.1909 | 19613 | 91.29 % |
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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 mean: 27.77 Å2 |
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精密化ステップ | サイクル: LAST / 解像度: 1.33→29.43 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 736 | 0 | 3 | 45 | 784 |
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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_d0.0045 | 757 | X-RAY DIFFRACTION | f_angle_d0.7676 | 1030 | X-RAY DIFFRACTION | f_chiral_restr0.0794 | 108 | X-RAY DIFFRACTION | f_plane_restr0.006 | 131 | X-RAY DIFFRACTION | f_dihedral_angle_d18.9506 | 100 | | | | | |
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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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1.33-1.35 | 0.4743 | 89 | 0.4485 | 858 | X-RAY DIFFRACTION | 62.14 | 1.35-1.37 | 0.427 | 144 | 0.3585 | 1213 | X-RAY DIFFRACTION | 87.49 | 1.37-1.39 | 0.3606 | 130 | 0.3165 | 1202 | X-RAY DIFFRACTION | 86.89 | 1.39-1.41 | 0.3154 | 129 | 0.2994 | 1245 | X-RAY DIFFRACTION | 88.42 | 1.41-1.43 | 0.275 | 147 | 0.2695 | 1274 | X-RAY DIFFRACTION | 88.98 | 1.43-1.45 | 0.2969 | 129 | 0.2597 | 1196 | X-RAY DIFFRACTION | 88.93 | 1.45-1.48 | 0.284 | 139 | 0.2325 | 1273 | X-RAY DIFFRACTION | 90.69 | 1.48-1.5 | 0.3241 | 138 | 0.2386 | 1287 | X-RAY DIFFRACTION | 90.36 | 1.5-1.53 | 0.3096 | 132 | 0.2395 | 1224 | X-RAY DIFFRACTION | 90.22 | 1.53-1.56 | 0.27 | 139 | 0.2266 | 1264 | X-RAY DIFFRACTION | 88.69 | 1.56-1.6 | 0.279 | 141 | 0.197 | 1261 | X-RAY DIFFRACTION | 91.1 | 1.6-1.63 | 0.2349 | 152 | 0.183 | 1329 | X-RAY DIFFRACTION | 94.88 | 1.63-1.68 | 0.243 | 144 | 0.1779 | 1303 | X-RAY DIFFRACTION | 95.07 | 1.68-1.72 | 0.2244 | 149 | 0.18 | 1350 | X-RAY DIFFRACTION | 94.81 | 1.72-1.77 | 0.2134 | 151 | 0.179 | 1318 | X-RAY DIFFRACTION | 94.71 | 1.77-1.83 | 0.2575 | 147 | 0.1694 | 1352 | X-RAY DIFFRACTION | 95.24 | 1.83-1.89 | 0.1845 | 143 | 0.1774 | 1313 | X-RAY DIFFRACTION | 95.85 | 1.89-1.97 | 0.2741 | 149 | 0.1759 | 1334 | X-RAY DIFFRACTION | 95 | 1.97-2.06 | 0.2323 | 131 | 0.1676 | 1318 | X-RAY DIFFRACTION | 93.97 | 2.06-2.17 | 0.1612 | 139 | 0.1758 | 1285 | X-RAY DIFFRACTION | 92.95 | 2.17-2.3 | 0.2216 | 150 | 0.1753 | 1290 | X-RAY DIFFRACTION | 93.32 | 2.3-2.48 | 0.2317 | 150 | 0.1998 | 1327 | X-RAY DIFFRACTION | 94.98 | 2.48-2.73 | 0.1952 | 150 | 0.1931 | 1338 | X-RAY DIFFRACTION | 95.32 | 2.73-3.13 | 0.2355 | 144 | 0.1962 | 1338 | X-RAY DIFFRACTION | 94.82 | 3.13-3.94 | 0.2109 | 142 | 0.1781 | 1329 | X-RAY DIFFRACTION | 94.54 | 3.94-29.43 | 0.2087 | 145 | 0.1692 | 1301 | X-RAY DIFFRACTION | 93.9 |
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