ソフトウェア | 名称 | バージョン | 分類 |
---|
xia2 | | データスケーリング | PHENIX | 1.17.1_3660精密化 | PDB_EXTRACT | 3.25 | データ抽出 | Coot | 0.9-per EL(ccpem) | モデル構築 | |
|
---|
精密化 | 構造決定の手法: 分子置換 開始モデル: 6Z79 解像度: 1.64→65.25 Å / SU ML: 0.14 / 交差検証法: THROUGHOUT / σ(F): 1.34 / 位相誤差: 24.09 / 立体化学のターゲット値: ML
| Rfactor | 反射数 | %反射 |
---|
Rfree | 0.2158 | 2259 | 5.06 % |
---|
Rwork | 0.187 | 42348 | - |
---|
obs | 0.1885 | 44607 | 81.87 % |
---|
|
---|
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 |
---|
原子変位パラメータ | Biso max: 100.85 Å2 / Biso mean: 37.7557 Å2 / Biso min: 14.14 Å2 |
---|
精密化ステップ | サイクル: final / 解像度: 1.64→65.25 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
---|
原子数 | 2627 | 0 | 83 | 329 | 3039 |
---|
Biso mean | - | - | 39.39 | 40.65 | - |
---|
残基数 | - | - | - | - | 357 |
---|
|
---|
LS精密化 シェル | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 16 解像度 (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Num. reflection all | % reflection obs (%) |
---|
1.64-1.67 | 0.4676 | 12 | 0.3218 | 183 | 195 | 6 | 1.67-1.71 | 0.2644 | 20 | 0.26 | 381 | 401 | 12 | 1.71-1.76 | 0.2807 | 61 | 0.2528 | 983 | 1044 | 31 | 1.76-1.8 | 0.2602 | 95 | 0.2642 | 2214 | 2309 | 68 | 1.8-1.86 | 0.2685 | 175 | 0.2399 | 3079 | 3254 | 97 | 1.86-1.92 | 0.2493 | 165 | 0.2264 | 3135 | 3300 | 98 | 1.92-1.98 | 0.2687 | 167 | 0.2042 | 3163 | 3330 | 99 | 1.98-2.06 | 0.2056 | 171 | 0.1787 | 3192 | 3363 | 99 | 2.06-2.16 | 0.2149 | 175 | 0.1662 | 3147 | 3322 | 98 | 2.16-2.27 | 0.1768 | 162 | 0.1698 | 3188 | 3350 | 99 | 2.27-2.41 | 0.225 | 175 | 0.1716 | 3186 | 3361 | 99 | 2.41-2.6 | 0.2226 | 175 | 0.1825 | 3223 | 3398 | 99 | 2.6-2.86 | 0.2376 | 165 | 0.1928 | 3237 | 3402 | 99 | 2.86-3.28 | 0.226 | 168 | 0.1973 | 3263 | 3431 | 100 | 3.28-4.13 | 0.1991 | 169 | 0.1701 | 3312 | 3481 | 100 | 4.13-65.25 | 0.202 | 204 | 0.1883 | 3462 | 3666 | 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 | 0.5009 | 0.3407 | 0.0532 | 1.1796 | -0.7565 | 3.2122 | 0.0752 | -0.2403 | 0.028 | 0.3491 | -0.0991 | -0.0827 | -0.1993 | 0.206 | 0.0574 | 0.1874 | -0.0041 | -0.0299 | 0.257 | -0.0081 | 0.1809 | 6.1433 | 44.5405 | 92.746 | 2 | 0.7935 | 0.3099 | 0.141 | 1.1712 | -0.1039 | 3.3445 | 0.1097 | -0.2892 | 0.0324 | 0.4244 | -0.0537 | 0.0184 | -0.0505 | -0.2818 | -0.0686 | 0.1959 | -0.0171 | -0.0062 | 0.179 | 0.0025 | 0.1483 | -0.5686 | 42.6655 | 93.9788 | 3 | 0.6647 | -0.0745 | 0.9225 | 1.6716 | 0.5827 | 3.0198 | 0.1627 | 0.1225 | -0.1049 | -0.4114 | -0.0203 | -0.0218 | 0.2628 | -0.0163 | -0.1684 | 0.3197 | 0.0087 | 0.0022 | 0.2031 | -0.0084 | 0.1937 | 3.3077 | 31.7254 | 44.277 | 4 | 6.7716 | -1.2324 | -2.0411 | 2.0566 | 0.1249 | 2.303 | 0.0931 | -0.5185 | 0.5589 | 0.0677 | 0.0146 | -0.34 | -0.1401 | 0.2664 | -0.1057 | 0.2008 | -0.0436 | -0.0438 | 0.2442 | -0.0397 | 0.2837 | 11.1005 | 54.0966 | 78.8324 | 5 | 0.9458 | -0.4223 | -0.4943 | 1.8473 | 1.107 | 3.5564 | 0.0925 | 0.2326 | -0.0105 | -0.5703 | -0.0212 | -0.1889 | 0.0155 | 0.123 | -0.0756 | 0.2907 | 0.0255 | 0.05 | 0.1731 | 0.0051 | 0.1609 | 3.5311 | 38.1119 | 42.9062 | 6 | 2.7851 | -0.5425 | 1.6891 | 0.7222 | -0.9279 | 1.5496 | -0.0694 | -0.3639 | 0.088 | 0.1142 | 0.0593 | 0.1275 | -0.1765 | -0.3599 | 0.0187 | 0.1671 | 0.0353 | 0.02 | 0.2166 | -0.0039 | 0.237 | -10.2202 | 52.7895 | 76.8173 | 7 | 1.7872 | 0.2066 | 1.0093 | 1.4221 | -0.441 | 1.9082 | 0.2049 | -0.0946 | 0.0093 | 0.2835 | -0.209 | 0.1768 | -1.1554 | 0.4103 | 0.1605 | 0.5553 | -0.1343 | -0.0311 | 0.4602 | 0.0673 | 0.2589 | 5.284 | 51.7084 | 107.2579 | 8 | 2.0484 | 0.4584 | -0.3315 | 1.5023 | -0.3498 | 2.5152 | 0.5615 | -0.6198 | 0.3061 | 1.0985 | -0.6125 | -0.3585 | -0.5563 | 0.4622 | 0.1536 | 0.8005 | -0.2777 | -0.1422 | 0.5353 | 0.0556 | 0.3116 | 9.231 | 47.0921 | 119.9432 | 9 | 1.3846 | 2.2819 | -0.5614 | 3.9361 | -0.0709 | 4.3406 | 0.38 | -0.1502 | -0.6915 | 0.6992 | -0.47 | -1.0468 | 0.3186 | -0.0881 | 0.2309 | 0.5552 | -0.0645 | -0.1606 | 0.5418 | 0.1571 | 0.5011 | 11.0947 | 28.8431 | 115.7657 |
|
---|
精密化 TLSグループ | ID | Refine-ID | Refine TLS-ID | Selection details | Auth asym-ID | Auth seq-ID |
---|
1 | X-RAY DIFFRACTION | 1 | chain 'A' and (resid 30 through 85 )A30 - 85 | 2 | X-RAY DIFFRACTION | 2 | chain 'A' and (resid 86 through 138 )A86 - 138 | 3 | X-RAY DIFFRACTION | 3 | chain 'A' and (resid 139 through 181 )A139 - 181 | 4 | X-RAY DIFFRACTION | 4 | chain 'A' and (resid 182 through 197 )A182 - 197 | 5 | X-RAY DIFFRACTION | 5 | chain 'A' and (resid 198 through 269 )A198 - 269 | 6 | X-RAY DIFFRACTION | 6 | chain 'A' and (resid 270 through 302 )A270 - 302 | 7 | X-RAY DIFFRACTION | 7 | chain 'A' and (resid 303 through 322 )A303 - 322 | 8 | X-RAY DIFFRACTION | 8 | chain 'A' and (resid 323 through 383 )A323 - 383 | 9 | X-RAY DIFFRACTION | 9 | chain 'A' and (resid 388 through 409 )A388 - 409 | | | | | | | | | | | | | | | | | | |
|
---|