| ソフトウェア | | 名称 | バージョン | 分類 |
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| HKL-2000 | | データ収集 | | COMO | | 位相決定 | | CNS | 1.2 | 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 | 構造決定の手法: 分子置換 開始モデル: PDB ENTRY 4E6H 解像度: 3→46.77 Å / Rfactor Rfree error: 0.008 / Data cutoff high absF: 565484.42 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 / 詳細: BULK SOLVENT MODEL USED
| Rfactor | 反射数 | %反射 | Selection details |
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| Rfree | 0.293 | 1195 | 4.8 % | RANDOM |
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| Rwork | 0.233 | - | - | - |
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| obs | 0.233 | 24884 | 87.8 % | - |
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| all | - | 28000 | - | - |
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| 溶媒の処理 | 溶媒モデル: FLAT MODEL / Bsol: 30.1879 Å2 / ksol: 0.3 e/Å3 |
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| 原子変位パラメータ | Biso mean: 72.9 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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| 1- | -20.61 Å2 | 0 Å2 | 0 Å2 |
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| 2- | - | 8.8 Å2 | 0 Å2 |
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| 3- | - | - | 11.82 Å2 |
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| Refine analyze | | Free | Obs |
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| Luzzati coordinate error | 0.59 Å | 0.45 Å |
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| Luzzati d res low | - | 5 Å |
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| Luzzati sigma a | 0.79 Å | 0.68 Å |
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| 精密化ステップ | サイクル: LAST / 解像度: 3→46.77 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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| 原子数 | 9221 | 0 | 0 | 0 | 9221 |
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| 拘束条件 | | Refine-ID | タイプ | Dev ideal |
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| X-RAY DIFFRACTION | c_bond_d| 0.014 | | 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| 1.7 | | X-RAY DIFFRACTION | c_angle_deg_na | | X-RAY DIFFRACTION | c_angle_deg_prot | | X-RAY DIFFRACTION | c_dihedral_angle_d| 20.6 | | X-RAY DIFFRACTION | c_dihedral_angle_d_na | | X-RAY DIFFRACTION | c_dihedral_angle_d_prot | | X-RAY DIFFRACTION | c_improper_angle_d| 0.98 | | X-RAY DIFFRACTION | c_improper_angle_d_na | | X-RAY DIFFRACTION | c_improper_angle_d_prot | | X-RAY DIFFRACTION | c_mcbond_it | | X-RAY DIFFRACTION | c_mcangle_it | | X-RAY DIFFRACTION | c_scbond_it | | X-RAY DIFFRACTION | c_scangle_it | | | | | | | | | | | | | | | | | | | |
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| Refine LS restraints NCS | NCS model details: CONSTR |
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| LS精密化 シェル | 解像度: 3→3.11 Å / Rfactor Rfree error: 0.054 / Total num. of bins used: 10
| Rfactor | 反射数 | %反射 |
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| Rfree | 0.49 | 81 | 4.8 % |
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| Rwork | 0.412 | 1611 | - |
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| obs | - | - | 60.7 % |
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| Xplor file | Serial no: 1 / Param file: protein_rep.param / Topol file: protein.top |
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