ソフトウェア | 名称 | バージョン | 分類 |
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CNS | | 精密化 | PDB_EXTRACT | 3.14 | データ抽出 | Coot | | モデル構築 | PHENIX | | 位相決定 | PHENIX | | モデル構築 | CrystalClear | | データ削減 | CrystalClear | | データスケーリング |
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精密化 | 構造決定の手法: 分子置換 / 解像度: 3→19.6 Å / 交差検証法: FREE R-VALUE / σ(F): 0
| Rfactor | 反射数 | %反射 |
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Rfree | 0.236 | 355 | 9.9 % |
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Rwork | 0.195 | - | - |
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obs | 0.195 | 3522 | 98.4 % |
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溶媒の処理 | Bsol: 59.88 Å2 |
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原子変位パラメータ | Biso mean: 76.3504 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | 1.052 Å2 | 0 Å2 | 0 Å2 |
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2- | - | 1.052 Å2 | 0 Å2 |
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3- | - | - | -2.104 Å2 |
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精密化ステップ | サイクル: LAST / 解像度: 3→19.6 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 0 | 974 | 51 | 1 | 1026 |
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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 | c_bond_d0.008 | | X-RAY DIFFRACTION | c_bond_d_na | | X-RAY DIFFRACTION | c_bond_d_prot | | X-RAY DIFFRACTION | c_angle_d | | X-RAY DIFFRACTION | c_angle_d_na | | X-RAY DIFFRACTION | c_angle_d_prot | | X-RAY DIFFRACTION | c_angle_deg | | X-RAY DIFFRACTION | c_angle_deg_na | | X-RAY DIFFRACTION | c_angle_deg_prot | | X-RAY DIFFRACTION | c_dihedral_angle_d | | X-RAY DIFFRACTION | c_dihedral_angle_d_na | | X-RAY DIFFRACTION | c_dihedral_angle_d_prot | | X-RAY DIFFRACTION | c_improper_angle_d | | X-RAY DIFFRACTION | c_improper_angle_d_na | | X-RAY DIFFRACTION | c_improper_angle_d_prot | | X-RAY DIFFRACTION | c_mcbond_it0 | 1.5 | X-RAY DIFFRACTION | c_mcangle_it0 | 2 | X-RAY DIFFRACTION | c_scbond_it1.692 | 2 | X-RAY DIFFRACTION | c_scangle_it2.722 | 2.5 | | | | | | | | | | | | | | | | | | | |
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LS精密化 シェル | 解像度: 3→3.11 Å
| Rfactor | 反射数 | %反射 |
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Rfree | 0.301 | 37 | - |
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Rwork | 0.3192 | 322 | - |
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obs | - | - | 100 % |
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Xplor file | Refine-ID | Serial no | Param file |
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X-RAY DIFFRACTION | 1 | DNA-RNA_FREE.PARAM | X-RAY DIFFRACTION | 2 | CNS_TOPPAR:WATER_REP.PARAMX-RAY DIFFRACTION | 3 | CNS_TOPPAR:ION.PARAMX-RAY DIFFRACTION | 4 | GET_XPLOR.PARAMX-RAY DIFFRACTION | 5 | 174.PARAM | | | |
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