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 | DENZO | | データ削減 | SCALEPACK | | データスケーリング |
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精密化 | 解像度: 1.98→19.7 Å / Rfactor Rfree error: 0.006 / 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 | 0.241 | 1892 | 9.9 % | RANDOM |
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Rwork | 0.187 | - | - | - |
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obs | - | 19055 | 91.5 % | - |
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原子変位パラメータ | Biso mean: 23.8 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | 0.08 Å2 | -0.57 Å2 | 0 Å2 |
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2- | - | 0.08 Å2 | 0 Å2 |
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3- | - | - | -0.16 Å2 |
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Refine analyze | | Free | Obs |
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Luzzati coordinate error | 0.26 Å | 0.21 Å |
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Luzzati d res low | - | 8 Å |
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Luzzati sigma a | 0.16 Å | 0.19 Å |
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精密化ステップ | サイクル: LAST / 解像度: 1.98→19.7 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 | 13 | 215 | 2064 |
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拘束条件 | Refine-ID | タイプ | Dev ideal |
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X-RAY DIFFRACTION | x_bond_d0.006 | 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_deg1.4 | X-RAY DIFFRACTION | x_angle_deg_na | X-RAY DIFFRACTION | x_angle_deg_prot | X-RAY DIFFRACTION | x_dihedral_angle_d | X-RAY DIFFRACTION | x_dihedral_angle_d_na | X-RAY DIFFRACTION | x_dihedral_angle_d_prot | X-RAY DIFFRACTION | x_improper_angle_d | 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: 1.98→2.1 Å / Rfactor Rfree error: 0.02 / Total num. of bins used: 6
| Rfactor | 反射数 | %反射 |
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Rfree | 0.298 | 217 | 10.6 % |
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Rwork | 0.284 | 1837 | - |
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obs | - | - | 61.3 % |
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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_deg24.7 | X-RAY DIFFRACTION | x_improper_angle_deg1.21 | | |
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