ソフトウェア | 名称 | バージョン | 分類 |
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PHASES | | 位相決定 | X-PLOR | 3.843 | 精密化 | SDMS | | データ削減 | SDMS | | データスケーリング |
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精密化 | 解像度: 2.48→18.57 Å / Rfactor Rfree error: 0.008 / Data cutoff high absF: 10000000 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0
| Rfactor | 反射数 | %反射 | Selection details |
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Rfree | 0.25 | 1005 | 10.4 % | RANDOM |
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Rwork | 0.174 | - | - | - |
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obs | - | 9680 | 87.2 % | - |
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原子変位パラメータ | Biso mean: 32.4 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | -0.06 Å2 | -0.33 Å2 | 0 Å2 |
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2- | - | -0.06 Å2 | 0 Å2 |
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3- | - | - | 0.12 Å2 |
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Refine analyze | | Free | Obs |
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Luzzati coordinate error | 0.33 Å | 0.23 Å |
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Luzzati d res low | - | 8 Å |
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Luzzati sigma a | 0.38 Å | 0.3 Å |
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精密化ステップ | サイクル: LAST / 解像度: 2.48→18.57 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 1836 | 0 | 10 | 144 | 1990 |
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拘束条件 | Refine-ID | タイプ | Dev ideal |
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X-RAY DIFFRACTION | x_bond_d0.007 | X-RAY DIFFRACTION | x_bond_d_na | X-RAY DIFFRACTION | x_bond_d_prot | X-RAY DIFFRACTION | x_angle_d | X-RAY DIFFRACTION | x_angle_d_na | X-RAY DIFFRACTION | x_angle_d_prot | X-RAY DIFFRACTION | x_angle_deg1.3 | X-RAY DIFFRACTION | x_angle_deg_na | X-RAY DIFFRACTION | x_angle_deg_prot | X-RAY DIFFRACTION | x_dihedral_angle_d24.9 | X-RAY DIFFRACTION | x_dihedral_angle_d_na | X-RAY DIFFRACTION | x_dihedral_angle_d_prot | X-RAY DIFFRACTION | x_improper_angle_d1.13 | X-RAY DIFFRACTION | x_improper_angle_d_na | X-RAY DIFFRACTION | x_improper_angle_d_prot | X-RAY DIFFRACTION | x_mcbond_it | X-RAY DIFFRACTION | x_mcangle_it | X-RAY DIFFRACTION | x_scbond_it | X-RAY DIFFRACTION | x_scangle_it | | | | | | | | | | | | | | | | | | | |
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LS精密化 シェル | 解像度: 2.48→2.64 Å / Rfactor Rfree error: 0.03 / Total num. of bins used: 6
| Rfactor | 反射数 | %反射 |
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Rfree | 0.339 | 127 | 11.3 % |
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Rwork | 0.277 | 996 | - |
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obs | - | - | 63.2 % |
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ソフトウェア | *PLUS 名称: X-PLOR / バージョン: 3.843 / 分類: refinement |
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拘束条件 | *PLUS Refine-ID | タイプ | Dev ideal |
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X-RAY DIFFRACTION | x_dihedral_angle_d | X-RAY DIFFRACTION | x_dihedral_angle_deg24.9 | X-RAY DIFFRACTION | x_improper_angle_d | X-RAY DIFFRACTION | x_improper_angle_deg1.13 | | | | |
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