ソフトウェア | 名称 | バージョン | 分類 |
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PHENIX | 1.20.1_4487精密化 | Aimless | | データスケーリング | XDS | | データ削減 | PHASER | | 位相決定 | |
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精密化 | 構造決定の手法: 分子置換 / 解像度: 1.3→42.76 Å / SU ML: 0.1019 / 交差検証法: FREE R-VALUE / σ(F): 1.35 / 位相誤差: 15.4071 立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
| Rfactor | 反射数 | %反射 |
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Rfree | 0.1549 | 3265 | 5.04 % |
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Rwork | 0.1361 | 61498 | - |
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obs | 0.1371 | 64763 | 99.89 % |
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溶媒の処理 | 減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL |
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原子変位パラメータ | Biso mean: 18.62 Å2 |
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精密化ステップ | サイクル: LAST / 解像度: 1.3→42.76 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 2154 | 0 | 0 | 327 | 2481 |
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拘束条件 | Refine-ID | タイプ | Dev ideal | 数 |
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X-RAY DIFFRACTION | f_bond_d0.0083 | 2223 | X-RAY DIFFRACTION | f_angle_d1.1274 | 3063 | X-RAY DIFFRACTION | f_chiral_restr0.0952 | 343 | X-RAY DIFFRACTION | f_plane_restr0.0094 | 404 | X-RAY DIFFRACTION | f_dihedral_angle_d11.4921 | 755 | | | | | |
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LS精密化 シェル | 解像度 (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Refine-ID | % reflection obs (%) |
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1.3-1.32 | 0.2254 | 124 | 0.2028 | 2662 | X-RAY DIFFRACTION | 99.89 | 1.32-1.34 | 0.1845 | 128 | 0.1809 | 2697 | X-RAY DIFFRACTION | 99.86 | 1.34-1.36 | 0.2198 | 158 | 0.1772 | 2612 | X-RAY DIFFRACTION | 99.96 | 1.36-1.39 | 0.2133 | 126 | 0.1725 | 2716 | X-RAY DIFFRACTION | 99.86 | 1.39-1.41 | 0.1857 | 121 | 0.1623 | 2652 | X-RAY DIFFRACTION | 99.96 | 1.41-1.44 | 0.1982 | 157 | 0.1603 | 2636 | X-RAY DIFFRACTION | 99.93 | 1.44-1.47 | 0.2052 | 153 | 0.1577 | 2672 | X-RAY DIFFRACTION | 99.86 | 1.47-1.5 | 0.1585 | 110 | 0.1407 | 2686 | X-RAY DIFFRACTION | 99.96 | 1.5-1.53 | 0.1685 | 139 | 0.1284 | 2671 | X-RAY DIFFRACTION | 99.89 | 1.53-1.57 | 0.1395 | 145 | 0.1199 | 2680 | X-RAY DIFFRACTION | 99.93 | 1.57-1.61 | 0.1533 | 119 | 0.1221 | 2693 | X-RAY DIFFRACTION | 100 | 1.61-1.66 | 0.1535 | 142 | 0.1216 | 2663 | X-RAY DIFFRACTION | 99.89 | 1.66-1.72 | 0.147 | 169 | 0.1244 | 2643 | X-RAY DIFFRACTION | 99.93 | 1.72-1.78 | 0.1541 | 151 | 0.1263 | 2676 | X-RAY DIFFRACTION | 99.89 | 1.78-1.85 | 0.1385 | 142 | 0.127 | 2648 | X-RAY DIFFRACTION | 99.96 | 1.85-1.93 | 0.1421 | 160 | 0.122 | 2663 | X-RAY DIFFRACTION | 99.96 | 1.93-2.03 | 0.1331 | 129 | 0.1155 | 2696 | X-RAY DIFFRACTION | 99.93 | 2.03-2.16 | 0.1536 | 141 | 0.1231 | 2679 | X-RAY DIFFRACTION | 100 | 2.16-2.33 | 0.1497 | 151 | 0.1219 | 2673 | X-RAY DIFFRACTION | 99.96 | 2.33-2.56 | 0.1534 | 146 | 0.138 | 2683 | X-RAY DIFFRACTION | 100 | 2.56-2.93 | 0.1411 | 163 | 0.132 | 2674 | X-RAY DIFFRACTION | 99.75 | 2.93-3.7 | 0.1537 | 127 | 0.1394 | 2705 | X-RAY DIFFRACTION | 99.72 | 3.7-42.76 | 0.1572 | 164 | 0.148 | 2718 | X-RAY DIFFRACTION | 99.52 |
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