ソフトウェア | 名称 | バージョン | 分類 |
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ADSC | Quantumデータ収集 | SOLVE | | 位相決定 | CNS | 1.2 | 精密化 | MOSFLM | | データ削減 | SCALA | | データスケーリング | |
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精密化 | 構造決定の手法: 多波長異常分散 / 解像度: 2.75→67.6 Å / Rfactor Rfree error: 0.009 / Data cutoff high absF: 569003.4 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 / 立体化学のターゲット値: Engh & Huber / 詳細: BULK SOLVENT MODEL USED
| Rfactor | 反射数 | %反射 | Selection details |
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Rfree | 0.276 | 1039 | 8.8 % | RANDOM |
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Rwork | 0.231 | - | - | - |
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obs | 0.231 | 11764 | 95.8 % | - |
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all | - | 12280 | - | - |
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溶媒の処理 | 溶媒モデル: FLAT MODEL / Bsol: 65.7139 Å2 / ksol: 0.4 e/Å3 |
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原子変位パラメータ | Biso mean: 72.5 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | 15.9 Å2 | 16.05 Å2 | -3.04 Å2 |
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2- | - | -1.94 Å2 | 11.84 Å2 |
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3- | - | - | -13.96 Å2 |
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Refine analyze | | Free | Obs |
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Luzzati coordinate error | 0.45 Å | 0.35 Å |
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Luzzati d res low | - | 5 Å |
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Luzzati sigma a | 0.53 Å | 0.43 Å |
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精密化ステップ | サイクル: LAST / 解像度: 2.75→67.6 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 3226 | 0 | 0 | 13 | 3239 |
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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_d0.01 | | 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_deg2 | | X-RAY DIFFRACTION | c_angle_deg_na | | X-RAY DIFFRACTION | c_angle_deg_prot | | X-RAY DIFFRACTION | c_dihedral_angle_d20.8 | | X-RAY DIFFRACTION | c_dihedral_angle_d_na | | X-RAY DIFFRACTION | c_dihedral_angle_d_prot | | X-RAY DIFFRACTION | c_improper_angle_d1.41 | | X-RAY DIFFRACTION | c_improper_angle_d_na | | X-RAY DIFFRACTION | c_improper_angle_d_prot | | X-RAY DIFFRACTION | c_mcbond_it4.26 | 1.5 | X-RAY DIFFRACTION | c_mcangle_it6.43 | 2 | X-RAY DIFFRACTION | c_scbond_it6.81 | 2 | X-RAY DIFFRACTION | c_scangle_it9.46 | 2.5 | | | | | | | | | | | | | | | | | | | |
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Refine LS restraints NCS | NCS model details: NONE |
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LS精密化 シェル | 解像度: 2.75→2.92 Å / Rfactor Rfree error: 0.029 / Total num. of bins used: 6
| Rfactor | 反射数 | %反射 |
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Rfree | 0.383 | 169 | 8.8 % |
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Rwork | 0.311 | 1755 | - |
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obs | - | - | 96 % |
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Xplor file | Refine-ID | Serial no | Param file | Topol file |
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X-RAY DIFFRACTION | 1 | protein_rep.paramprotein.topX-RAY DIFFRACTION | 2 | water_rep.paramwater.topX-RAY DIFFRACTION | 3 | ion.paramion.topX-RAY DIFFRACTION | 4 | dna-rna_rep.param | dna-rna.top | | | | | | |
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