ソフトウェア | 名称 | バージョン | 分類 |
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DENZO | | データ削減 | X-PLOR | | モデル構築 | X-PLOR | 3.1 | 精密化 | SCALEPACK | | データスケーリング | X-PLOR | | 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: OCTAMER SEGMENT FROM 14-MER AUAUAUAUAUAUAU 解像度: 2.6→10 Å / Rfactor Rfree error: 0.018 / 交差検証法: THROUGHOUT / σ(F): 2
| Rfactor | 反射数 | %反射 | Selection details |
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Rfree | 0.188 | 163 | 6 % | RANDOM |
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Rwork | 0.188 | - | - | - |
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all | 0.188 | 2742 | - | - |
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obs | - | 2494 | 91 % | - |
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原子変位パラメータ | Biso mean: 10.6 Å2 |
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Refine analyze | | Free | Obs |
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Luzzati coordinate error | 0.28 Å | 0.25 Å |
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Luzzati d res low | - | 5 Å |
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Luzzati sigma a | 0.43 Å | 0.3 Å |
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精密化ステップ | サイクル: LAST / 解像度: 2.6→10 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 0 | 500 | 0 | 27 | 527 |
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拘束条件 | Refine-ID | タイプ | Dev ideal | Dev ideal target |
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X-RAY DIFFRACTION | x_bond_d0.01 | | 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_deg1.22 | | X-RAY DIFFRACTION | x_angle_deg_na | | X-RAY DIFFRACTION | x_angle_deg_prot | | X-RAY DIFFRACTION | x_dihedral_angle_d7.4 | | X-RAY DIFFRACTION | x_dihedral_angle_d_na | | X-RAY DIFFRACTION | x_dihedral_angle_d_prot | | X-RAY DIFFRACTION | x_improper_angle_d1.57 | | X-RAY DIFFRACTION | x_improper_angle_d_na | | X-RAY DIFFRACTION | x_improper_angle_d_prot | | X-RAY DIFFRACTION | x_mcbond_it2.32 | 1.5 | X-RAY DIFFRACTION | x_mcangle_it3.36 | 2 | 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: 2.6→2.76 Å / Rfactor Rfree error: 0.123 / Total num. of bins used: 6
| Rfactor | 反射数 | %反射 |
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Rwork | 0.324 | 339 | - |
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Rfree | - | 17 | 4.8 % |
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obs | - | - | 80 % |
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精密化 | *PLUS 最高解像度: 2.6 Å / Rfactor Rfree: 0.228 |
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溶媒の処理 | *PLUS |
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原子変位パラメータ | *PLUS |
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拘束条件 | *PLUS Refine-ID | タイプ | Dev ideal |
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X-RAY DIFFRACTION | x_angle_deg1.2 | X-RAY DIFFRACTION | x_dihedral_angle_d | X-RAY DIFFRACTION | x_dihedral_angle_deg7.1 | X-RAY DIFFRACTION | x_improper_angle_d | X-RAY DIFFRACTION | x_improper_angle_deg1.5 | | | | | |
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