ソフトウェア | 名称 | バージョン | 分類 |
---|
PHENIX | (1.10.1_2155: ???)精密化 | HKL-2000 | | データスケーリング | PHENIX | | 位相決定 | |
|
---|
精密化 | 構造決定の手法: 分子置換 開始モデル: 2cbj 解像度: 2.481→44.249 Å / SU ML: 0.31 / 交差検証法: FREE R-VALUE / σ(F): 1.35 / 位相誤差: 25.25 / 立体化学のターゲット値: ML
| Rfactor | 反射数 | %反射 |
---|
Rfree | 0.2357 | 2013 | 4.92 % |
---|
Rwork | 0.1811 | - | - |
---|
obs | 0.1838 | 40939 | 91.49 % |
---|
|
---|
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 |
---|
精密化ステップ | サイクル: LAST / 解像度: 2.481→44.249 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
---|
原子数 | 6905 | 0 | 0 | 384 | 7289 |
---|
|
---|
拘束条件 | Refine-ID | タイプ | Dev ideal | 数 |
---|
X-RAY DIFFRACTION | f_bond_d0.01 | 7088 | X-RAY DIFFRACTION | f_angle_d1.126 | 9587 | X-RAY DIFFRACTION | f_dihedral_angle_d18.452 | 4198 | X-RAY DIFFRACTION | f_chiral_restr0.058 | 1013 | X-RAY DIFFRACTION | f_plane_restr0.009 | 1212 | | | | | |
|
---|
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 (%) |
---|
2.4814-2.5434 | 0.3368 | 62 | 0.2355 | 1344 | X-RAY DIFFRACTION | 45 | 2.5434-2.6122 | 0.2951 | 105 | 0.2355 | 1842 | X-RAY DIFFRACTION | 62 | 2.6122-2.689 | 0.2907 | 130 | 0.2262 | 2378 | X-RAY DIFFRACTION | 79 | 2.689-2.7758 | 0.2718 | 135 | 0.2209 | 2939 | X-RAY DIFFRACTION | 97 | 2.7758-2.875 | 0.2852 | 148 | 0.2016 | 3043 | X-RAY DIFFRACTION | 100 | 2.875-2.9901 | 0.2684 | 167 | 0.196 | 3020 | X-RAY DIFFRACTION | 100 | 2.9901-3.1261 | 0.2496 | 172 | 0.201 | 3017 | X-RAY DIFFRACTION | 100 | 3.1261-3.2909 | 0.2707 | 150 | 0.2101 | 3045 | X-RAY DIFFRACTION | 100 | 3.2909-3.497 | 0.2648 | 155 | 0.1912 | 3034 | X-RAY DIFFRACTION | 100 | 3.497-3.7669 | 0.2555 | 159 | 0.1713 | 3034 | X-RAY DIFFRACTION | 100 | 3.7669-4.1457 | 0.2103 | 150 | 0.1554 | 3045 | X-RAY DIFFRACTION | 100 | 4.1457-4.745 | 0.182 | 151 | 0.1368 | 3054 | X-RAY DIFFRACTION | 100 | 4.745-5.9759 | 0.2151 | 151 | 0.1678 | 3086 | X-RAY DIFFRACTION | 100 | 5.9759-44.2564 | 0.2064 | 178 | 0.1852 | 3045 | X-RAY DIFFRACTION | 98 |
|
---|
精密化 TLS | 手法: refined / Origin x: -16.201 Å / Origin y: -63.9248 Å / Origin z: 97.0115 Å
| 11 | 12 | 13 | 21 | 22 | 23 | 31 | 32 | 33 |
---|
T | 0.222 Å2 | 0.0098 Å2 | -0.0061 Å2 | - | 0.3625 Å2 | 0.0326 Å2 | - | - | 0.2219 Å2 |
---|
L | 1.1517 °2 | -0.1645 °2 | -0.3249 °2 | - | 1.2829 °2 | 0.1398 °2 | - | - | 1.0859 °2 |
---|
S | 0.0027 Å ° | 0.3129 Å ° | -0.0108 Å ° | 0.046 Å ° | 0.046 Å ° | 0.0696 Å ° | -0.0431 Å ° | -0.3953 Å ° | -0.0395 Å ° |
---|
|
---|
精密化 TLSグループ | Selection details: all |
---|