ソフトウェア | 名称 | バージョン | 分類 |
---|
PHENIX | (1.10_2155: ???)精密化 | HKL-2000 | | データ削減 | HKL-2000 | | データスケーリング | PHASER | | 位相決定 | |
|
---|
精密化 | 構造決定の手法: 分子置換 開始モデル: 6JQ6 解像度: 2.059→33.523 Å / SU ML: 0.31 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 30.2
| Rfactor | 反射数 | %反射 |
---|
Rfree | 0.2308 | 1628 | 4.89 % |
---|
Rwork | 0.1929 | - | - |
---|
obs | 0.1947 | 33267 | 97.07 % |
---|
|
---|
溶媒の処理 | 減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å |
---|
精密化ステップ | サイクル: LAST / 解像度: 2.059→33.523 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
---|
原子数 | 0 | 3472 | 1 | 79 | 3552 |
---|
|
---|
拘束条件 | Refine-ID | タイプ | Dev ideal | 数 |
---|
X-RAY DIFFRACTION | f_bond_d0.007 | 3919 | X-RAY DIFFRACTION | f_angle_d1.034 | 6099 | X-RAY DIFFRACTION | f_dihedral_angle_d14.686 | 1963 | X-RAY DIFFRACTION | f_chiral_restr0.048 | 818 | X-RAY DIFFRACTION | f_plane_restr0.009 | 164 | | | | | |
|
---|
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 (%) |
---|
2.0587-2.1193 | 0.3322 | 98 | 0.2931 | 1867 | X-RAY DIFFRACTION | 70 | 2.1193-2.1877 | 0.3407 | 113 | 0.3014 | 2651 | X-RAY DIFFRACTION | 99 | 2.1877-2.2658 | 0.4637 | 128 | 0.35 | 2662 | X-RAY DIFFRACTION | 98 | 2.2658-2.3565 | 0.3489 | 154 | 0.2982 | 2622 | X-RAY DIFFRACTION | 99 | 2.3565-2.4638 | 0.337 | 130 | 0.2865 | 2670 | X-RAY DIFFRACTION | 99 | 2.4638-2.5936 | 0.374 | 146 | 0.2679 | 2675 | X-RAY DIFFRACTION | 100 | 2.5936-2.756 | 0.3069 | 143 | 0.2833 | 2679 | X-RAY DIFFRACTION | 100 | 2.756-2.9687 | 0.3028 | 144 | 0.264 | 2695 | X-RAY DIFFRACTION | 100 | 2.9687-3.2672 | 0.2478 | 132 | 0.1971 | 2727 | X-RAY DIFFRACTION | 100 | 3.2672-3.7395 | 0.2091 | 154 | 0.1662 | 2725 | X-RAY DIFFRACTION | 100 | 3.7395-4.7093 | 0.1688 | 141 | 0.1509 | 2761 | X-RAY DIFFRACTION | 100 | 4.7093-33.5273 | 0.1689 | 145 | 0.1426 | 2905 | X-RAY DIFFRACTION | 100 |
|
---|
精密化 TLS | 手法: refined / Origin x: -32.5384 Å / Origin y: -15.4974 Å / Origin z: -15.8258 Å
| 11 | 12 | 13 | 21 | 22 | 23 | 31 | 32 | 33 |
---|
T | 0.2835 Å2 | -0.0136 Å2 | 0.0232 Å2 | - | 0.3313 Å2 | -0.03 Å2 | - | - | 0.3314 Å2 |
---|
L | 0.0155 °2 | 0.2424 °2 | 0.154 °2 | - | 2.5432 °2 | 0.5004 °2 | - | - | 0.4898 °2 |
---|
S | -0.0004 Å ° | 0.0411 Å ° | -0.0139 Å ° | 0.216 Å ° | 0.0454 Å ° | -0.0579 Å ° | -0.0987 Å ° | -0.0102 Å ° | -0.0511 Å ° |
---|
|
---|
精密化 TLSグループ | Selection details: all |
---|