ソフトウェア | 名称 | バージョン | 分類 |
---|
PHENIX | 1.9_1692精密化 | XDS | March 1, 2015データ削減 | Aimless | 0.2.8データスケーリング | PHASER | 2.5.6位相決定 | | | | |
|
---|
精密化 | 構造決定の手法: 分子置換 開始モデル: 3TZN 解像度: 2.101→37.139 Å / SU ML: 0.35 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 31.15
| Rfactor | 反射数 | %反射 |
---|
Rfree | 0.2537 | 1530 | 5.02 % |
---|
Rwork | 0.2238 | - | - |
---|
obs | 0.2252 | 30455 | 99.69 % |
---|
|
---|
溶媒の処理 | 減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å |
---|
原子変位パラメータ | Biso mean: 63.8 Å2 |
---|
精密化ステップ | サイクル: LAST / 解像度: 2.101→37.139 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
---|
原子数 | 3702 | 0 | 66 | 101 | 3869 |
---|
|
---|
拘束条件 | Refine-ID | タイプ | Dev ideal | 数 |
---|
X-RAY DIFFRACTION | f_bond_d0.003 | 3837 | X-RAY DIFFRACTION | f_angle_d0.739 | 5218 | X-RAY DIFFRACTION | f_dihedral_angle_d12.284 | 1334 | X-RAY DIFFRACTION | f_chiral_restr0.026 | 614 | X-RAY DIFFRACTION | f_plane_restr0.003 | 674 | | | | | |
|
---|
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 (%) |
---|
2.1005-2.1683 | 0.4271 | 153 | 0.3976 | 2548 | X-RAY DIFFRACTION | 97 | 2.1683-2.2458 | 0.3769 | 139 | 0.3658 | 2592 | X-RAY DIFFRACTION | 100 | 2.2458-2.3357 | 0.367 | 160 | 0.3172 | 2582 | X-RAY DIFFRACTION | 100 | 2.3357-2.442 | 0.301 | 149 | 0.2847 | 2605 | X-RAY DIFFRACTION | 100 | 2.442-2.5707 | 0.3183 | 125 | 0.2743 | 2642 | X-RAY DIFFRACTION | 100 | 2.5707-2.7318 | 0.2823 | 131 | 0.2576 | 2626 | X-RAY DIFFRACTION | 100 | 2.7318-2.9426 | 0.2746 | 130 | 0.2382 | 2649 | X-RAY DIFFRACTION | 100 | 2.9426-3.2386 | 0.2665 | 129 | 0.2212 | 2627 | X-RAY DIFFRACTION | 100 | 3.2386-3.7068 | 0.2361 | 146 | 0.2017 | 2651 | X-RAY DIFFRACTION | 100 | 3.7068-4.6688 | 0.1812 | 151 | 0.1779 | 2644 | X-RAY DIFFRACTION | 100 | 4.6688-37.145 | 0.2277 | 117 | 0.1921 | 2759 | X-RAY DIFFRACTION | 100 |
|
---|
精密化 TLS | 手法: refined / Refine-ID: X-RAY DIFFRACTION ID | L11 (°2) | L12 (°2) | L13 (°2) | L22 (°2) | L23 (°2) | L33 (°2) | S11 (Å °) | S12 (Å °) | S13 (Å °) | S21 (Å °) | S22 (Å °) | S23 (Å °) | S31 (Å °) | S32 (Å °) | S33 (Å °) | T11 (Å2) | T12 (Å2) | T13 (Å2) | T22 (Å2) | T23 (Å2) | T33 (Å2) | Origin x (Å) | Origin y (Å) | Origin z (Å) |
---|
1 | 0.5349 | -0.3114 | 0.2203 | 0.2068 | -0.1845 | 1.0636 | -0.8008 | 0.2719 | 0.5484 | 0.3957 | 0.051 | -0.7842 | -0.536 | 0.4212 | -0.0039 | 0.5289 | -0.1203 | -0.1264 | 0.4794 | 0.1416 | 0.9839 | 32.1458 | 24.6199 | 106.9071 | 2 | 1.0858 | -0.1514 | 0.4744 | 1.744 | 0.7849 | 0.8355 | -0.0026 | -0.7859 | 0.0261 | 1.0237 | 0.2281 | -0.5424 | 0.1908 | 0.0558 | 0.0031 | 0.6039 | 0.0781 | -0.1697 | 0.5905 | -0.0692 | 0.559 | 26.585 | 14.4053 | 122.8117 | 3 | 2.7895 | -1.2047 | 0.3542 | 2.2893 | 0.2101 | 1.836 | -0.1378 | -0.1007 | 0.4577 | 0.1096 | 0.0811 | -0.1361 | -0.2346 | -0.0336 | -0.0112 | 0.2504 | 0.0026 | 0.018 | 0.1878 | 0.0176 | 0.3476 | 14.9795 | 20.1683 | 109.4095 | 4 | 0.0796 | 0.0662 | -0.084 | 0.0406 | -0.0621 | 0.0799 | -0.4695 | 0.656 | -0.2744 | -0.1619 | 0.099 | 1.0449 | 0.6114 | -1.0696 | -0 | 0.6964 | 0.0408 | -0.1731 | 1.0705 | -0.1635 | 0.86 | 0.7971 | 0.8247 | 82.893 | 5 | -0.0124 | 0.0277 | -0.067 | 0.0489 | 0.0492 | 0.2135 | 0.1847 | 0.4608 | -0.4688 | -0.0557 | -0.3073 | 0.5915 | 1.5567 | -0.0757 | 0.0019 | 1.1109 | 0.1114 | -0.1922 | 0.5423 | -0.1688 | 0.7686 | 13.2553 | -13.8782 | 90.0554 | 6 | 0.8201 | -0.0314 | 0.4959 | 4.2434 | -2.8181 | 2.1969 | 0.4643 | 0.7659 | -0.4061 | -1.2289 | -0.2069 | -0.9641 | 0.6018 | 0.5711 | -0.9509 | 1.0819 | 0.1488 | -0.1606 | 0.8395 | -0.3469 | 0.8054 | 16.575 | -10.51 | 82.0381 | 7 | 0.0198 | 0.034 | 0.0141 | 0.0804 | -0.0877 | 0.1822 | 0.7817 | 0.6517 | -0.3472 | -0.8684 | -0.4534 | 0.7471 | 1.126 | -0.5862 | 0.0009 | 1.411 | 0.1633 | -0.1878 | 0.9588 | -0.1825 | 0.888 | 10.5111 | -15.675 | 77.7009 | 8 | 1.0961 | -0.2891 | -0.3394 | 0.4658 | 0.1598 | 0.1691 | 0.9698 | 1.7981 | -0.0972 | -1.1102 | -0.4136 | 0.086 | 0.7613 | 0.5761 | 0.0811 | 1.0566 | 0.3325 | 0.0773 | 1.6244 | 0.029 | 0.2602 | 16.8956 | 1.0337 | 70.2277 | 9 | 1.8424 | 0.2063 | 0.0759 | 1.6022 | 0.2099 | 0.2566 | 0.5907 | 1.7893 | -0.169 | -0.9667 | -0.1599 | 0.2605 | -0.2372 | 0.5403 | 0.2392 | 0.7994 | 0.3325 | -0.0246 | 0.9983 | 0.0818 | 0.3183 | 18.0312 | 6.6688 | 79.7891 | 10 | 0.5528 | 0.3749 | -0.019 | 1.198 | 0.7114 | 1.4932 | 0.5723 | 0.6302 | -0.5214 | -0.3605 | -0.408 | -0.0851 | 0.1723 | 0.1585 | 0.0028 | 0.364 | 0.1029 | -0.0297 | 0.3702 | -0.0042 | 0.315 | 17.8635 | 3.4441 | 93.5588 |
|
---|
精密化 TLSグループ | ID | Refine-ID | Refine TLS-ID | Selection details |
---|
1 | X-RAY DIFFRACTION | 1 | chain 'A' and (resid 1 through 15 )2 | X-RAY DIFFRACTION | 2 | chain 'A' and (resid 16 through 109 )3 | X-RAY DIFFRACTION | 3 | chain 'A' and (resid 110 through 275 )4 | X-RAY DIFFRACTION | 4 | chain 'B' and (resid 0 through 15 )5 | X-RAY DIFFRACTION | 5 | chain 'B' and (resid 16 through 50 )6 | X-RAY DIFFRACTION | 6 | chain 'B' and (resid 51 through 70 )7 | X-RAY DIFFRACTION | 7 | chain 'B' and (resid 71 through 109 )8 | X-RAY DIFFRACTION | 8 | chain 'B' and (resid 110 through 174 )9 | X-RAY DIFFRACTION | 9 | chain 'B' and (resid 175 through 221 )10 | X-RAY DIFFRACTION | 10 | chain 'B' and (resid 222 through 276 ) | | | | | | | | | |
|
---|