ソフトウェア | 名称 | バージョン | 分類 |
---|
SBC-Collect | | データ収集 | SHELX | SUITEモデル構築 | CCP$ | | モデル構築 | MOLREP | | 位相決定 | PHENIX | (phenix.refine: 1.7.3_928)/REFMAC精密化 | HKL-3000 | | データ削減 | HKL-3000 | | データスケーリング | SHELX | SUITE位相決定 | CCP$ | | 位相決定 | | | |
|
---|
精密化 | 構造決定の手法: 単波長異常分散 / 解像度: 1.952→32.518 Å / SU ML: 0.22 / σ(F): 1.36 / σ(I): 0 / 位相誤差: 22.03 / 立体化学のターゲット値: ML
| Rfactor | 反射数 | %反射 | Selection details |
---|
Rfree | 0.2021 | 4960 | 5.05 % | random |
---|
Rwork | 0.153 | - | - | - |
---|
all | 0.16 | - | - | - |
---|
obs | 0.1555 | 98632 | 68.51 % | - |
---|
|
---|
溶媒の処理 | 減衰半径: 0.98 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 39.029 Å2 / ksol: 0.323 e/Å3 |
---|
原子変位パラメータ | | Baniso -1 | Baniso -2 | Baniso -3 |
---|
1- | 4.5277 Å2 | -0 Å2 | 2.8035 Å2 |
---|
2- | - | -3.7935 Å2 | -0 Å2 |
---|
3- | - | - | -0.7341 Å2 |
---|
|
---|
精密化ステップ | サイクル: LAST / 解像度: 1.952→32.518 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
---|
原子数 | 10235 | 0 | 6 | 931 | 11172 |
---|
|
---|
拘束条件 | Refine-ID | タイプ | Dev ideal | 数 |
---|
X-RAY DIFFRACTION | f_bond_d0.019 | 10521 | X-RAY DIFFRACTION | f_angle_d1.81 | 14266 | X-RAY DIFFRACTION | f_dihedral_angle_d14.202 | 3840 | X-RAY DIFFRACTION | f_chiral_restr0.136 | 1642 | X-RAY DIFFRACTION | f_plane_restr0.008 | 1818 | | | | | |
|
---|
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 (%) |
---|
1.9518-1.974 | 0.2578 | 54 | 0.1981 | 1096 | X-RAY DIFFRACTION | 15 | 1.974-1.9972 | 0.2166 | 59 | 0.2061 | 1365 | X-RAY DIFFRACTION | 19 | 1.9972-2.0215 | 0.2445 | 88 | 0.2063 | 1497 | X-RAY DIFFRACTION | 21 | 2.0215-2.0471 | 0.2709 | 90 | 0.2024 | 1821 | X-RAY DIFFRACTION | 26 | 2.0471-2.0741 | 0.247 | 126 | 0.2142 | 2101 | X-RAY DIFFRACTION | 29 | 2.0741-2.1025 | 0.2673 | 141 | 0.2096 | 2468 | X-RAY DIFFRACTION | 35 | 2.1025-2.1325 | 0.2341 | 153 | 0.2083 | 2792 | X-RAY DIFFRACTION | 39 | 2.1325-2.1643 | 0.2293 | 177 | 0.1922 | 3145 | X-RAY DIFFRACTION | 44 | 2.1643-2.1981 | 0.2559 | 157 | 0.1898 | 3599 | X-RAY DIFFRACTION | 49 | 2.1981-2.2342 | 0.2091 | 211 | 0.1855 | 3861 | X-RAY DIFFRACTION | 55 | 2.2342-2.2727 | 0.2272 | 217 | 0.1837 | 4263 | X-RAY DIFFRACTION | 60 | 2.2727-2.314 | 0.2394 | 260 | 0.1817 | 4450 | X-RAY DIFFRACTION | 63 | 2.314-2.3585 | 0.2317 | 285 | 0.1682 | 4785 | X-RAY DIFFRACTION | 68 | 2.3585-2.4066 | 0.2225 | 260 | 0.1657 | 5144 | X-RAY DIFFRACTION | 72 | 2.4066-2.4589 | 0.2173 | 334 | 0.1578 | 5351 | X-RAY DIFFRACTION | 76 | 2.4589-2.5161 | 0.2117 | 327 | 0.1642 | 5637 | X-RAY DIFFRACTION | 79 | 2.5161-2.579 | 0.2178 | 311 | 0.1602 | 5992 | X-RAY DIFFRACTION | 84 | 2.579-2.6487 | 0.2078 | 319 | 0.1628 | 6288 | X-RAY DIFFRACTION | 88 | 2.6487-2.7266 | 0.2058 | 335 | 0.1627 | 6490 | X-RAY DIFFRACTION | 91 | 2.7266-2.8146 | 0.2086 | 338 | 0.1708 | 6581 | X-RAY DIFFRACTION | 93 | 2.8146-2.9151 | 0.229 | 325 | 0.1734 | 6919 | X-RAY DIFFRACTION | 95 | 2.9151-3.0317 | 0.2413 | 400 | 0.1668 | 6795 | X-RAY DIFFRACTION | 97 | 3.0317-3.1696 | 0.2184 | 360 | 0.1629 | 7033 | X-RAY DIFFRACTION | 98 | 3.1696-3.3366 | 0.1935 | 351 | 0.149 | 6958 | X-RAY DIFFRACTION | 98 | 3.3366-3.5454 | 0.1986 | 387 | 0.1388 | 6924 | X-RAY DIFFRACTION | 97 | 3.5454-3.8187 | 0.1876 | 347 | 0.13 | 6856 | X-RAY DIFFRACTION | 96 | 3.8187-4.2023 | 0.1809 | 393 | 0.1215 | 6838 | X-RAY DIFFRACTION | 96 | 4.2023-4.8087 | 0.1599 | 352 | 0.1165 | 6741 | X-RAY DIFFRACTION | 95 | 4.8087-6.0521 | 0.1744 | 354 | 0.1341 | 6801 | X-RAY DIFFRACTION | 95 | 6.0521-32.5225 | 0.1909 | 286 | 0.1716 | 6061 | X-RAY DIFFRACTION | 84 |
|
---|
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 | 0.0582 | 0.0319 | -0.0033 | 0.04 | -0.0525 | 0.1091 | -0.0722 | -0.0095 | -0.088 | -0.0141 | -0.1065 | -0.1257 | 0.0445 | 0.0133 | -0.0104 | 0.1284 | -0.0579 | 0.0467 | 0.2014 | -0.0449 | 0.2149 | -4.6034 | -19.3329 | 80.2741 | 2 | 0.0209 | 0.0255 | -0.0288 | 0.0356 | -0.0299 | 0.0365 | 0.0849 | -0.0491 | 0.2131 | 0.1578 | -0.071 | 0.0836 | 0.0019 | 0.0484 | 0.0007 | 0.129 | -0.0499 | -0.0061 | 0.221 | -0.048 | 0.1925 | -5.0778 | -8.5257 | 83.0373 | 3 | 0.0696 | 0.0314 | -0.0159 | 0.2866 | 0.2226 | 0.1991 | -0.0129 | -0.2044 | -0.0788 | 0.1276 | -0.1891 | -0.0794 | 0.096 | 0.0384 | -0.1804 | 0.0909 | -0.0335 | -0.04 | 0.2153 | 0.073 | 0.16 | 4.7577 | -18.9671 | 82.638 | 4 | 0.2599 | 0.0022 | -0.1448 | 0.0699 | -0.0053 | 0.0817 | -0.0475 | -0.1206 | 0.0088 | 0.1113 | -0.0332 | -0.0845 | -0.0023 | 0.042 | -0.0535 | 0.0814 | 0.0063 | -0.0152 | 0.2249 | 0.0163 | 0.208 | 1.0592 | -19.9661 | 74.2727 | 5 | 0.0263 | 0.0242 | -0.0199 | 0.0244 | -0.0531 | 0.2482 | -0.0443 | 0.0569 | 0.1076 | -0.0191 | 0.1009 | -0.0046 | -0.057 | -0.2014 | -0.002 | 0.0573 | -0.0351 | 0.0007 | 0.2752 | 0.0378 | 0.2339 | -13.6474 | -16.656 | 68.4307 | 6 | 0.0309 | -0.016 | -0.021 | 0.0081 | 0.0112 | 0.0181 | -0.0873 | 0.1681 | 0.024 | 0.0434 | 0.0369 | 0.031 | 0.0804 | -0.0855 | -0.0001 | 0.1824 | -0.0433 | 0.0183 | 0.3183 | 0.0313 | 0.2486 | -11.2423 | -15.0093 | 61.2317 | 7 | 0.0035 | -0 | 0.0042 | 0.0034 | -0.0037 | 0.0109 | -0.0026 | 0.013 | 0.0163 | -0.0025 | -0.019 | -0.0027 | -0.0327 | 0.0071 | -0.0006 | 0.3951 | 0.1685 | 0.1607 | 0.3295 | 0.0162 | 0.4784 | -12.1647 | 2.4133 | 70.2576 | 8 | 0.0797 | 0.0705 | -0.1067 | 0.0603 | -0.0953 | 0.1515 | 0.0117 | 0.1506 | -0.0258 | -0.0301 | 0.249 | 0.0874 | -0.0707 | -0.1223 | 0.028 | 0.3011 | -0.1004 | -0.017 | 0.4557 | -0.0105 | 0.2542 | -7.752 | -12.7942 | 52.3144 | 9 | 0.0017 | 0.0031 | -0.0005 | 0.0046 | -0.0146 | 0.034 | -0.0665 | 0.0726 | -0.1114 | -0.1024 | -0.0547 | -0.104 | 0.108 | 0.0296 | -0.0008 | 0.1224 | -0.0452 | 0.0044 | 0.1795 | -0.0124 | 0.2476 | 10.8542 | -20.9195 | 64.9298 | 10 | 0.01 | -0.0018 | 0.0074 | 0.0002 | -0.0007 | 0.0062 | -0.1051 | 0.0447 | 0.0063 | 0.0127 | -0.0594 | -0.0326 | -0.042 | -0.0115 | -0.0002 | 0.1659 | -0.0535 | 0.0134 | 0.1726 | -0.0455 | 0.2275 | 4.9711 | -20.5345 | 59.8746 | 11 | 0.0621 | -0.0197 | -0.0733 | 0.132 | -0.2013 | 0.5115 | -0.1173 | 0.1606 | -0.0793 | -0.0722 | 0.0017 | -0.0033 | 0.0837 | -0.1018 | -0.0226 | 0.1067 | -0.058 | -0.0197 | 0.1658 | -0.0095 | 0.1912 | 11.6154 | -9.4089 | 56.7556 | 12 | 0.1174 | 0.0414 | 0.1887 | 0.014 | 0.0632 | 0.3127 | -0.1279 | 0.1349 | 0.0169 | -0.0435 | -0.0127 | -0.0484 | 0.0865 | -0.1297 | -0.0705 | 0.1439 | -0.0586 | 0.0799 | 0.1745 | 0.0086 | 0.2702 | 6.4255 | -17.828 | 56.0284 | 13 | 0.0061 | -0.0014 | -0.0007 | 0.0075 | 0.002 | 0.0098 | -0.0088 | 0.0022 | -0.0012 | 0.0205 | 0.0158 | -0.0176 | -0.0444 | -0.0265 | 0 | 0.3383 | -0.1306 | -0.0484 | 0.3505 | 0.0497 | 0.256 | 3.6573 | -7.8993 | 47.0507 | 14 | 0.2229 | 0.143 | -0.0927 | 0.1767 | -0.0444 | 0.062 | -0.1714 | 0.1383 | -0.1157 | -0.2093 | 0.1177 | -0.0366 | 0.0589 | -0.0755 | -0.1164 | 0.0333 | -0.1526 | 0.0521 | 0.3092 | -0.0576 | 0.183 | 1.1061 | -19.8874 | 55.8803 | 15 | 0.0138 | -0.0085 | 0.0007 | 0.0107 | 0.0012 | 0.0005 | -0.0496 | 0.0955 | -0.0228 | -0.0473 | -0.0037 | 0.034 | 0.0097 | -0.0189 | -0.0123 | 0.1903 | -0.1277 | -0.016 | 0.3742 | -0.0776 | 0.3173 | -6.4805 | -26.9019 | 55.172 | 16 | 0.0026 | -0.0022 | 0.0002 | 0.0018 | -0.0004 | 0.0052 | 0.0088 | -0.0137 | -0.1167 | 0.0061 | 0.03 | -0.0099 | 0.0557 | 0.0387 | -0.0001 | 0.1716 | 0.063 | 0.0377 | 0.3293 | 0.1208 | 0.3615 | 45.1726 | -1.7141 | 53.1684 | 17 | 0.0065 | 0.0069 | 0.0026 | 0.0204 | -0.0171 | 0.0231 | -0.0164 | 0.0536 | 0.0352 | -0.138 | 0.0107 | -0.0492 | -0.1043 | 0.0241 | 0 | 0.143 | -0.0054 | -0.0135 | 0.1818 | 0.0587 | 0.1627 | 26.9925 | 7.1164 | 44.1837 | 18 | 0.0009 | -0.0006 | 0.0005 | 0.0025 | -0.0016 | 0.0011 | -0.0126 | 0.0131 | 0.0425 | -0.0018 | -0.0069 | -0.0116 | -0.0251 | 0.0117 | 0.0001 | 0.1333 | -0.0621 | 0.0443 | 0.2542 | 0.0638 | 0.3112 | 35.696 | 15.614 | 46.4789 | 19 | 0.0038 | 0.0155 | -0.0158 | 0.0391 | -0.0536 | 0.0702 | -0.0709 | 0.1784 | -0.1062 | -0.326 | 0.0441 | -0.0481 | 0.1036 | -0.0485 | 0.0028 | 0.1789 | -0.0297 | 0.0325 | 0.2001 | 0.0277 | 0.2114 | 28.6977 | -2.1999 | 42.8502 | 20 | 0.0103 | 0.0038 | -0.0064 | 0.0218 | -0.017 | 0.0133 | -0.0506 | 0.0239 | -0.0369 | -0.0632 | -0.1 | -0.1312 | 0.1604 | -0.0692 | 0.0001 | 0.1637 | 0.0069 | 0.0693 | 0.1607 | 0.0043 | 0.2392 | 27.2179 | -12.1491 | 50.2794 | 21 | 0.1003 | -0.0221 | 0.0245 | 0.0684 | 0.017 | 0.1534 | -0.0666 | 0.0032 | -0.055 | -0.0852 | -0.0963 | -0.1472 | -0.0025 | 0.0872 | -0.1109 | 0.0913 | 0.0213 | -0.0038 | 0.1704 | 0.0637 | 0.2053 | 32.5003 | -3.3592 | 54.7467 | 22 | 0.1289 | 0.0244 | 0.0165 | 0.008 | 0.002 | 0.1959 | -0.0372 | -0.0409 | 0.0115 | 0.0364 | -0.1276 | -0.127 | -0.0589 | 0.046 | -0.2471 | -0.1186 | -0.0476 | -0.142 | 0.217 | 0.0519 | 0.3164 | 32.4759 | 12.6345 | 60.4307 | 23 | -0.0004 | 0.0015 | 0.0013 | 0.0099 | 0.0047 | 0.002 | 0.059 | 0.0289 | 0.1098 | -0.0169 | 0.0472 | -0.0152 | -0.0691 | -0.0551 | 0.0003 | 0.1818 | 0.0165 | -0.0442 | 0.1878 | 0.0427 | 0.3464 | 22.1211 | 21.1317 | 61.4474 | 24 | 0.0633 | -0.0128 | -0.0739 | 0.0036 | 0.0167 | 0.0885 | 0.0417 | -0.0163 | 0.018 | 0.014 | 0.0361 | -0.0618 | -0.0167 | 0.0692 | 0.0171 | 0.1936 | -0.0507 | -0.117 | 0.2956 | -0.0065 | 0.2659 | 30.9057 | 5.3506 | 80.2759 | 25 | 0.0741 | 0.0355 | -0.0439 | 0.0607 | -0.0371 | 0.0363 | -0.0965 | -0.0922 | -0.0068 | 0.0054 | -0.1168 | -0.1161 | 0.0401 | 0.0032 | -0.4039 | -0.2273 | 0.1167 | -0.116 | 0.1614 | 0.063 | 0.2252 | 28.0696 | -8.801 | 66.4306 | 26 | 0.0028 | 0.0055 | -0.0025 | 0.0107 | 0.0005 | 0.0094 | 0.0023 | 0.0166 | -0.0332 | -0.0086 | 0.0022 | -0.0473 | -0.0298 | 0.0446 | 0.0055 | 0.005 | -0.0293 | -0.0902 | 0.2316 | 0.0515 | 0.2306 | 16.0681 | -4.5448 | 70.8722 | 27 | 0.0311 | 0.0041 | -0.0067 | 0.0317 | -0.0244 | 0.1181 | 0.0049 | -0.02 | -0.0126 | -0.0039 | 0.0131 | 0.068 | -0.0462 | -0.0442 | 0.0255 | 0.0761 | -0.0031 | -0.0979 | 0.1778 | 0.0845 | 0.2603 | 24.4237 | -2.0429 | 72.7194 | 28 | 0.004 | 0.0015 | -0.0012 | 0.0013 | -0.0021 | 0.0033 | 0.0006 | -0.025 | 0.0151 | 0.0209 | -0.0184 | 0.0374 | -0.0417 | -0.0281 | -0.0001 | 0.1531 | -0.0338 | -0.0778 | 0.3196 | -0.0371 | 0.2796 | 18.4642 | 1.8219 | 80.9043 | 29 | 0.004 | -0.0006 | 0.0026 | -0.0017 | -0.0016 | -0.0004 | -0.0397 | -0.0838 | 0.015 | 0.0053 | -0.0275 | -0.0336 | -0.0273 | -0.0125 | -0.2228 | -0.0146 | 0.02 | -0.1723 | 0.1845 | 0.068 | 0.2134 | 29.3555 | 1.3741 | 70.632 | 30 | 0.0615 | 0.015 | 0.0077 | 0.007 | -0.0035 | 0.0087 | -0.0035 | -0.046 | 0.0533 | -0.0019 | -0.0579 | -0.0151 | -0.0019 | 0.0201 | -0.0721 | 0.0118 | -0.0617 | -0.1861 | 0.3267 | 0.1087 | 0.2699 | 39.3012 | 2.4805 | 74.0357 | 31 | 0.0165 | 0.0087 | 0.0045 | 0.0088 | -0.0055 | 0.0109 | 0.0075 | 0.0366 | 0.0838 | 0.0342 | 0.058 | 0.0484 | -0.0796 | 0.0296 | 0.0002 | 0.1677 | -0.0047 | 0.0329 | 0.1765 | -0.0272 | 0.2093 | -32.9273 | -5.9495 | 89.3182 | 32 | 0.0146 | -0.0282 | 0.0005 | 0.0656 | -0.0053 | 0.0014 | -0.1077 | 0.1175 | -0.1057 | 0.2288 | 0.1014 | -0.1614 | 0.0798 | 0.0017 | -0.0013 | 0.2016 | 0.0077 | -0.0306 | 0.1502 | -0.0642 | 0.1609 | -17.4459 | -18.2406 | 98.4059 | 33 | 0.0348 | 0.0124 | -0.0196 | 0.0318 | 0.0007 | 0.011 | -0.1039 | -0.0325 | -0.0458 | 0.2912 | 0.0286 | -0.1696 | 0.0261 | 0.0635 | -0.0165 | 0.3026 | -0.0243 | -0.0666 | 0.2256 | -0.0593 | 0.2065 | -16.6524 | -14.2966 | 101.0468 | 34 | 0.0098 | -0.0257 | -0.0027 | 0.1277 | 0.0358 | 0.0125 | 0.0397 | 0.0427 | -0.0242 | 0.206 | 0.0533 | -0.1056 | -0.119 | 0.136 | 0.0492 | 0.3519 | -0.0794 | -0.0281 | 0.1039 | -0.0611 | 0.0807 | -23.251 | -4.6858 | 102.4171 | 35 | 0.0125 | 0.0107 | 0.0121 | 0.0063 | 0.0077 | 0.0253 | 0.0138 | 0.0246 | 0.0757 | 0.1975 | 0.0303 | -0.0533 | -0.0605 | 0.0607 | -0.0001 | 0.2525 | -0.0366 | 0.024 | 0.1615 | -0.0117 | 0.1223 | -31.144 | -8.9137 | 100.9831 | 36 | 0.0472 | 0.0106 | -0.0142 | 0.0343 | 0.0136 | 0.117 | -0.0704 | 0.0754 | -0.1393 | 0.0653 | 0.02 | -0.0719 | 0.1978 | -0.0598 | -0.0063 | 0.1487 | -0.0085 | -0.0094 | 0.1641 | -0.0033 | 0.1305 | -31.4113 | -22.6151 | 91.5549 | 37 | 0.0095 | -0.001 | -0.0034 | 0.003 | -0.0022 | 0.0043 | 0.0299 | 0.0365 | -0.0712 | -0.0111 | -0.0376 | 0.0469 | 0.0366 | -0.1 | -0.0002 | 0.2189 | -0.0327 | 0.0389 | 0.1721 | 0.0086 | 0.2498 | -43.6435 | -24.2071 | 91.3807 | 38 | 0.0025 | 0.0014 | 0.0004 | 0.0015 | -0.0034 | 0.0058 | -0.0376 | -0.0478 | -0.053 | 0.0617 | -0.029 | -0.1493 | 0.0872 | 0.03 | -0.0001 | 0.3684 | 0.0047 | 0.0074 | 0.1801 | -0.0166 | 0.2484 | -26.8169 | -34.6464 | 102.0866 | 39 | 0.0045 | 0.0063 | 0.0047 | 0.0084 | 0.0051 | 0.008 | 0.0066 | -0.0107 | -0.0377 | 0.0073 | -0.0118 | 0.0522 | 0.0361 | -0.1114 | -0.0002 | 0.3814 | -0.0274 | 0.1721 | 0.2258 | 0.0222 | 0.3932 | -48.2059 | -29.2275 | 101.4961 | 40 | 0.0417 | 0.0258 | -0.0756 | 0.0129 | -0.039 | 0.1397 | 0.0595 | -0.0351 | 0.0395 | 0.2802 | -0.0141 | 0.1087 | -0.007 | 0.0387 | 0.0019 | 0.4754 | 0.0569 | 0.1195 | 0.1506 | 0.0163 | 0.2154 | -41.2813 | -10.4149 | 109.0608 | 41 | 0.0098 | 0.0068 | -0.003 | 0.0049 | -0.0011 | 0.0024 | 0.0159 | 0.0066 | 0.0197 | 0.0334 | -0.0273 | 0.0195 | 0.0859 | 0.0077 | -0.0102 | 0.6514 | -0.0033 | 0.1252 | 0.1683 | 0.0368 | 0.2003 | -41.161 | -20.3521 | 118.3548 | 42 | 0.2078 | -0.028 | 0.1087 | 0.0559 | -0.0997 | 0.2 | 0.1071 | -0.0732 | 0.0432 | 0.0804 | 0.0105 | 0.0688 | 0.079 | -0.026 | 0.152 | 0.4965 | 0.0043 | 0.1875 | 0.1376 | 0.0389 | 0.2344 | -45.8328 | -22.4986 | 110.8735 | 43 | 0.0184 | 0.0047 | 0.0235 | 0.0028 | -0.0056 | 0.1025 | 0.0058 | -0.0205 | 0.0102 | 0.0939 | 0.0077 | 0.0373 | 0.0463 | -0.0625 | 0.0936 | 0.4852 | -0.0026 | 0.2865 | 0.1849 | 0.0412 | 0.357 | -53.9995 | -20.2374 | 113.9447 | 44 | 0.3417 | -0.0056 | 0.1444 | 0.075 | -0.0015 | 0.0589 | 0.0041 | 0.0101 | -0.1093 | 0.0589 | 0.0404 | 0.0421 | 0.0408 | -0.0201 | 0.0268 | 0.2422 | -0.0185 | 0.0826 | 0.1338 | -0.0083 | 0.1279 | -38.5874 | -21.5357 | 100.8726 | 45 | 0.0096 | -0.0035 | 0.0009 | 0.0054 | 0.0046 | 0.0158 | -0.0486 | 0.0183 | -0.0634 | 0.0207 | -0.0486 | 0.1173 | 0.0367 | -0.0402 | 0.0001 | 0.1959 | -0.0213 | 0.073 | 0.2048 | 0.0167 | 0.2855 | -49.5761 | -17.9475 | 95.5487 | 46 | 0.0608 | 0.0287 | 0.0056 | 0.0327 | -0.0351 | 0.0627 | -0.0285 | -0.1517 | -0.1309 | 0.0107 | -0.0606 | -0.0581 | 0.0275 | 0.0162 | -0.1266 | 1.0904 | -0.0314 | 0.3888 | 0.2019 | 0.1636 | 0.2837 | -45.8486 | -21.68 | 143.9582 | 47 | 0.0453 | 0.0273 | 0.0326 | 0.0109 | 0.013 | 0.0284 | -0.0305 | -0.1579 | -0.1102 | 0.0105 | -0.036 | -0.0229 | 0.0027 | 0.0533 | -0.0834 | 0.9003 | 0.0015 | 0.3663 | 0.3028 | 0.1908 | 0.3283 | -47.8924 | -27.4258 | 140.7891 | 48 | 0.0029 | 0.0088 | -0.0003 | 0.0582 | -0.0255 | 0.0627 | -0.0331 | -0.0728 | 0.0032 | 0.1244 | -0.0177 | 0.0533 | 0.0449 | -0.0024 | -0.11 | 0.8934 | 0.0292 | 0.4754 | 0.2226 | 0.0362 | 0.2348 | -51.3496 | -15.4593 | 136.7932 | 49 | 0.0288 | 0.008 | -0.0335 | 0.0038 | -0.0089 | 0.0464 | -0.0148 | -0.0829 | -0.0353 | 0.1072 | -0.0101 | 0.0306 | 0.031 | 0.0393 | -0.0482 | 1.0558 | 0.0122 | 0.3496 | 0.241 | 0.0626 | 0.0744 | -42.5481 | -13.7019 | 139.0868 | 50 | 0.0029 | -0.0012 | -0.0017 | 0.0015 | 0.0009 | 0.0015 | 0.01 | 0.0076 | 0.0051 | -0.01 | 0.0039 | -0.0161 | 0.0047 | 0.0004 | 0 | 0.8093 | 0.047 | -0.0379 | 0.3976 | 0.1623 | 0.4562 | -29.4902 | -29.6096 | 147.4535 | 51 | 0.005 | 0.0005 | 0.0062 | 0.0004 | -0.0021 | 0.0178 | -0.0196 | -0.0447 | -0.0039 | 0.027 | 0.0057 | 0.0001 | -0.0016 | -0.0216 | -0.0048 | 1.017 | 0.0253 | 0.0781 | 0.4258 | 0.0446 | 0.1817 | -33.383 | -14.3191 | 150.782 | 52 | 0.0069 | -0.0045 | -0.0006 | 0.0116 | 0.0018 | 0.0007 | 0.0134 | -0.021 | -0.0224 | 0.0043 | -0.0086 | -0.022 | -0.0232 | 0.0036 | -0 | 0.7198 | 0.0521 | -0.1007 | 0.4547 | 0.0719 | 0.3603 | -21.572 | -15.1328 | 147.3883 | 53 | 0.0093 | -0.0034 | 0.0029 | 0.0016 | -0.0008 | 0.0021 | -0.0792 | -0.0299 | -0.0071 | 0.0753 | -0.0276 | -0.0599 | -0.0071 | 0.0624 | -0.0009 | 0.8921 | 0.0717 | -0.0098 | 0.398 | 0.2294 | 0.5205 | -25.1411 | -31.6582 | 140.5928 | 54 | 0.0033 | -0.001 | 0.0012 | 0.0035 | -0.0033 | 0.0121 | -0.0014 | -0.0315 | 0.0006 | 0.0853 | -0.0103 | -0.0365 | -0.0105 | 0.0145 | -0.0001 | 0.8467 | -0.0165 | -0.1084 | 0.3896 | -0.0116 | 0.2717 | -21.2418 | -5.7425 | 137.7205 | 55 | 0.0369 | 0.0098 | -0.0251 | 0.1121 | 0.1004 | 0.134 | 0.063 | -0.0173 | 0.0164 | 0.1467 | 0.0217 | -0.0162 | 0.0396 | 0.0267 | 0.1754 | 0.7831 | 0.0347 | 0.1213 | 0.17 | -0.0021 | 0.0629 | -35.5546 | -7.7446 | 128.7664 | 56 | 0.0204 | 0.0009 | -0.0031 | 0.0165 | 0.016 | 0.0206 | 0.0457 | -0.0217 | -0.0232 | 0.0611 | 0.0258 | -0.0161 | -0.0048 | 0.0479 | 0.0387 | 0.6415 | 0.0336 | -0.0144 | 0.1758 | -0.0248 | 0.098 | -27.2875 | -14.0325 | 121.8279 | 57 | 0.0755 | 0.0154 | 0.0368 | 0.0267 | 0.0306 | 0.044 | 0.0946 | -0.0649 | -0.0543 | 0.0886 | -0.0115 | -0.0189 | 0.1587 | 0.0699 | 0.0856 | 0.7975 | 0.0994 | 0.0045 | 0.2307 | -0.0254 | 0.1279 | -26.6281 | -8.0271 | 129.9686 | 58 | 0.002 | -0.0009 | 0.0005 | 0.0007 | -0.0005 | 0.0075 | 0.0055 | -0.0119 | 0.0004 | 0.0081 | -0.0136 | -0.0301 | 0.0078 | -0.0037 | 0.0001 | 0.7498 | -0.0663 | -0.1683 | 0.4566 | -0.0473 | 0.3899 | -15.8014 | -15.3907 | 126.2291 | 59 | 0.0075 | 0.0038 | 0.007 | 0.0343 | -0.0142 | 0.0226 | -0.0023 | -0.0534 | -0.0226 | 0.0718 | 0.076 | 0.0038 | 0.0665 | 0.0394 | 0.0547 | 0.9147 | -0.0007 | -0.0006 | 0.3293 | -0.0253 | 0.1354 | -23.8363 | -10.263 | 133.7427 | 60 | 0.0001 | 0.0009 | 0.0012 | -0.0002 | 0.0011 | 0.0052 | -0.0118 | -0.032 | 0.0088 | 0.0944 | 0.0212 | -0.0028 | -0.0278 | 0.0569 | 0.0026 | 0.9131 | -0.0182 | -0.0113 | 0.4283 | -0.0196 | 0.1768 | -25.9386 | -4.6033 | 143.4268 |
|
---|
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 0:23)2 | X-RAY DIFFRACTION | 2 | (chain A and resid 24:63)3 | X-RAY DIFFRACTION | 3 | (chain A and resid 64:101)4 | X-RAY DIFFRACTION | 4 | (chain A and resid 102:138)5 | X-RAY DIFFRACTION | 5 | (chain A and resid 139:156)6 | X-RAY DIFFRACTION | 6 | (chain A and resid 157:173)7 | X-RAY DIFFRACTION | 7 | (chain A and resid 174:178)8 | X-RAY DIFFRACTION | 8 | (chain A and resid 179:195)9 | X-RAY DIFFRACTION | 9 | (chain A and resid 196:221)10 | X-RAY DIFFRACTION | 10 | (chain A and resid 222:229)11 | X-RAY DIFFRACTION | 11 | (chain A and resid 230:251)12 | X-RAY DIFFRACTION | 12 | (chain A and resid 252:269)13 | X-RAY DIFFRACTION | 13 | (chain A and resid 270:279)14 | X-RAY DIFFRACTION | 14 | (chain A and resid 280:316)15 | X-RAY DIFFRACTION | 15 | (chain A and resid 317:328)16 | X-RAY DIFFRACTION | 16 | (chain B and resid 0:8)17 | X-RAY DIFFRACTION | 17 | (chain B and resid 9:33)18 | X-RAY DIFFRACTION | 18 | (chain B and | | | | | | | | | | | | | | | | | |
|
---|