ソフトウェア | 名称 | 分類 |
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AMoRE | 位相決定 | X-PLOR | 精密化 | MSC | データ削減 |
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精密化 | 開始モデル: D(CCCCCIIIII) 解像度: 2.5→8 Å / σ(F): 2
| Rfactor | 反射数 | %反射 |
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Rfree | 0.298 | 163 | 10 % |
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Rwork | 0.211 | - | - |
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obs | 0.211 | 1667 | 60.3 % |
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原子変位パラメータ | Biso mean: 17.8 Å2 |
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精密化ステップ | サイクル: LAST / 解像度: 2.5→8 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 0 | 394 | 64 | 38 | 496 |
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拘束条件 | Refine-ID | タイプ | Dev ideal |
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X-RAY DIFFRACTION | x_bond_d0.008 | X-RAY DIFFRACTION | x_bond_d_na | X-RAY DIFFRACTION | x_bond_d_prot | X-RAY DIFFRACTION | x_angle_d1.69 | X-RAY DIFFRACTION | x_angle_d_na | X-RAY DIFFRACTION | x_angle_d_prot | X-RAY DIFFRACTION | x_angle_deg | X-RAY DIFFRACTION | x_angle_deg_na | X-RAY DIFFRACTION | x_angle_deg_prot | X-RAY DIFFRACTION | x_dihedral_angle_d21.2 | X-RAY DIFFRACTION | x_dihedral_angle_d_na | X-RAY DIFFRACTION | x_dihedral_angle_d_prot | X-RAY DIFFRACTION | x_improper_angle_d1.38 | 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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Xplor file | Refine-ID | Serial no | Param file | Topol file |
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X-RAY DIFFRACTION | 1 | PARAM_ND.DNATOP_NDBX.DNAX-RAY DIFFRACTION | 2 | PARAM.NETTOPOLOGY.NET | | | |
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ソフトウェア | *PLUS 名称: X-PLOR / 分類: refinement |
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精密化 | *PLUS 最高解像度: 2.5 Å / 最低解像度: 8 Å / % reflection Rfree: 10 % |
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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_d | X-RAY DIFFRACTION | x_angle_deg1.69 | X-RAY DIFFRACTION | x_dihedral_angle_d | X-RAY DIFFRACTION | x_dihedral_angle_deg21.2 | X-RAY DIFFRACTION | x_improper_angle_d | X-RAY DIFFRACTION | x_improper_angle_deg1.38 | | | | | | |
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