ソフトウェア | 名称 | バージョン | 分類 |
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SERGUI | | データ収集 | PHASER | | 位相決定 | REFMAC | 5.2.0019精密化 | HKL-2000 | | データ削減 | HKL-2000 | | データスケーリング | |
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精密化 | 構造決定の手法: 分子置換 開始モデル: PDB ENTRY 3EJ3 解像度: 1.5→55.05 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.927 / SU B: 2.815 / SU ML: 0.055 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.093 / ESU R Free: 0.094 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
| Rfactor | 反射数 | %反射 | Selection details |
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Rfree | 0.24704 | 2850 | 5.1 % | RANDOM |
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Rwork | 0.21119 | - | - | - |
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obs | 0.21296 | 53285 | 97.41 % | - |
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all | - | 56135 | - | - |
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溶媒の処理 | イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK |
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原子変位パラメータ | Biso mean: 33.789 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | 1.28 Å2 | 0 Å2 | 0 Å2 |
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2- | - | -0.28 Å2 | 0 Å2 |
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3- | - | - | -1 Å2 |
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精密化ステップ | サイクル: LAST / 解像度: 1.5→55.05 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 2821 | 0 | 0 | 378 | 3199 |
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拘束条件 | Refine-ID | タイプ | Dev ideal | Dev ideal target | 数 |
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X-RAY DIFFRACTION | r_bond_refined_d0.009 | 0.022 | 2956 | X-RAY DIFFRACTION | r_angle_refined_deg1.123 | 1.958 | 4012 | X-RAY DIFFRACTION | r_dihedral_angle_1_deg4.508 | 5 | 392 | X-RAY DIFFRACTION | r_dihedral_angle_2_deg38.948 | 23.407 | 135 | X-RAY DIFFRACTION | r_dihedral_angle_3_deg13.437 | 15 | 531 | X-RAY DIFFRACTION | r_dihedral_angle_4_deg17.343 | 15 | 28 | X-RAY DIFFRACTION | r_chiral_restr0.081 | 0.2 | 466 | X-RAY DIFFRACTION | r_gen_planes_refined0.004 | 0.02 | 2206 | X-RAY DIFFRACTION | r_nbd_refined0.19 | 0.2 | 1415 | X-RAY DIFFRACTION | r_nbtor_refined0.297 | 0.2 | 2028 | X-RAY DIFFRACTION | r_xyhbond_nbd_refined0.138 | 0.2 | 297 | X-RAY DIFFRACTION | r_symmetry_vdw_refined0.129 | 0.2 | 35 | X-RAY DIFFRACTION | r_symmetry_hbond_refined0.125 | 0.2 | 27 | X-RAY DIFFRACTION | r_mcbond_it0.475 | 1.5 | 1919 | X-RAY DIFFRACTION | r_mcangle_it0.705 | 2 | 3015 | X-RAY DIFFRACTION | r_scbond_it1.264 | 3 | 1141 | X-RAY DIFFRACTION | r_scangle_it1.896 | 4.5 | 980 | | | | | | | | | | | | | | | | | |
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LS精密化 シェル | 解像度: 1.5→1.535 Å / Total num. of bins used: 20
| Rfactor | 反射数 | %反射 |
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Rfree | 0.241 | 191 | - |
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Rwork | 0.209 | 3389 | - |
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obs | - | - | 86.08 % |
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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) |
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1 | 36.4188 | -2.6632 | -1.5512 | 1.4994 | -0.8246 | 0.8964 | -0.0371 | -0.2388 | 0.2061 | 0.0467 | 0.0951 | 0.333 | -0.0544 | -0.1201 | -0.0581 | -0.1549 | -0.0082 | 0.0082 | -0.1524 | -0.0231 | -0.0621 | -13.5619 | 7.2138 | -13.4527 | 2 | 9.9697 | 2.5155 | -5.137 | 7.5828 | -7.4285 | 8.0593 | -0.2076 | -0.2787 | -0.2397 | 0.219 | -0.2274 | -0.4706 | 0.1735 | 0.1636 | 0.435 | -0.1502 | 0.0089 | -0.0027 | -0.1259 | 0.0033 | -0.1408 | -0.7819 | 0.6225 | -10.0933 | 3 | 11.6783 | -3.4265 | -5.5259 | 4.6925 | 0.5987 | 7.9081 | -0.2888 | -0.2756 | -0.3857 | 0.3234 | 0.0768 | 0.1438 | 0.342 | 0.0887 | 0.212 | -0.1348 | 0.0013 | 0.0242 | -0.1229 | 0.0064 | -0.1758 | -9.659 | -1.7429 | -4.514 | 4 | 19.5866 | -5.6924 | -1.4008 | 10.8463 | -3.7433 | 2.9405 | -0.073 | -0.1246 | 0.0735 | -0.0139 | -0.021 | 0.0823 | -0.1039 | -0.0315 | 0.094 | -0.114 | 0.0338 | 0.0344 | -0.1098 | 0.0011 | -0.1626 | -18.3021 | 7.2314 | -3.243 | 5 | 19.5646 | -2.7554 | -7.7175 | 28.7432 | 5.4584 | 18.0121 | -0.3248 | -0.3469 | -0.4605 | 0.2857 | 0.3895 | 0.8862 | -0.0443 | -0.7336 | -0.0647 | -0.1204 | 0.0701 | 0.0866 | -0.0173 | 0.0421 | -0.0075 | -25.6307 | 10.4202 | -4.0622 | 6 | 17.3399 | -2.0478 | -10.3992 | 20.6136 | 10.7175 | 22.496 | -0.5226 | -1.115 | -0.5904 | 1.0162 | -0.3346 | 0.6423 | 1.1169 | -0.3933 | 0.8572 | -0.0036 | -0.0545 | 0.0826 | 0.0207 | 0.0347 | 0.0054 | -25.9156 | 3.0243 | -7.588 | 7 | 19.6001 | -0.2808 | -3.6673 | 2.5984 | -0.8557 | 1.2175 | -0.0442 | 0.2348 | 0.0199 | -0.0582 | 0.0395 | 0.1018 | 0.0554 | -0.0399 | 0.0047 | -0.1743 | -0.0181 | -0.002 | -0.147 | -0.0267 | -0.148 | -10.0577 | 2.9089 | -15.0469 | 8 | 6.1995 | -2.7038 | -4.7014 | 13.3482 | 3.2626 | 6.4502 | 0.1023 | -0.2745 | 0.3218 | 0.133 | 0.0776 | -0.6486 | -0.1375 | 0.2018 | -0.1799 | -0.203 | -0.0222 | -0.0472 | -0.1277 | 0.0254 | -0.0756 | 2.78 | 12.486 | -15.7719 | 9 | 3.1723 | 2.1287 | -2.7154 | 19.2136 | -9.6981 | 9.3857 | 0.002 | -0.3397 | 0.0029 | 0.9305 | -0.292 | -0.7341 | -0.2001 | 0.2554 | 0.29 | -0.1473 | -0.0029 | -0.0733 | -0.0505 | 0.0127 | -0.0604 | 5.7089 | 7.5748 | -11.3911 | 10 | 4.2029 | -9.7469 | -8.334 | 30.3539 | 20.6598 | 19.6653 | 0.1555 | 0.1169 | 0.0622 | -0.2559 | -0.1126 | 0.1317 | 0.1249 | -0.0119 | -0.0429 | -0.1523 | 0.0376 | -0.0335 | -0.1304 | -0.0001 | -0.132 | -8.5406 | 16.4969 | -25.615 | 11 | 0.036 | -0.6389 | 1.0771 | 11.3269 | -19.0956 | 32.1925 | 0.3556 | 0.2931 | 0.455 | 0.6733 | 0.3342 | 0.7283 | -0.3817 | -0.5268 | -0.6898 | -0.0551 | 0.0393 | 0.0578 | -0.0858 | 0.0679 | 0.0937 | -13.0816 | 30.7336 | -24.5291 | 12 | 7.7795 | -3.8097 | -3.0479 | 14.404 | 3.213 | 3.3649 | 0.0494 | 0.2406 | 0.0868 | -0.4319 | -0.0041 | 0.612 | -0.105 | -0.1779 | -0.0452 | -0.1219 | 0.0047 | -0.0218 | -0.1286 | 0.0383 | -0.0415 | -8.2371 | 28.3193 | -31.2869 | 13 | 16.5155 | -9.8056 | -0.676 | 14.5508 | 3.7324 | 6.3054 | 0.2198 | 0.5492 | 0.449 | -0.8048 | -0.134 | -0.505 | -0.2986 | 0.3542 | -0.0858 | -0.0721 | -0.0277 | 0.0358 | -0.1189 | 0.0256 | -0.0718 | -0.6778 | 21.4497 | -33.9527 | 14 | 15.0704 | 1.0546 | 5.7777 | 4.3634 | 3.3679 | 14.8265 | 0.0277 | 0.6615 | 0.0942 | -0.53 | -0.0226 | -0.4584 | 0.3457 | 0.3937 | -0.0051 | -0.0437 | 0.0446 | 0.0908 | 0.0222 | 0.0306 | -0.0168 | 2.973 | 14.9988 | -36.1179 | 15 | 15.5721 | 0.2349 | -4.2375 | 4.6466 | 1.1918 | 8.7733 | -0.1008 | 0.9701 | -0.4039 | -0.5482 | 0.0997 | -0.4689 | 0.3491 | 0.2473 | 0.0011 | -0.0449 | 0.0381 | 0.0194 | -0.0384 | -0.0189 | -0.1074 | -5.917 | 13.7078 | -36.5998 | 16 | 3.0871 | -4.5998 | -7.4302 | 6.9263 | 12.0211 | 30.3297 | 0.2374 | 0.1563 | 0.4044 | 0.0835 | 0.0668 | 0.0522 | -0.546 | -0.0686 | -0.3042 | -0.1454 | 0.0023 | 0.0287 | -0.1306 | -0.0015 | -0.0591 | -13.8074 | 22.9908 | -21.085 | 17 | 25.2802 | -6.894 | 12.176 | 5.7271 | -3.8126 | 10.6513 | -0.3071 | -0.0327 | 0.0266 | 0.2953 | 0.1369 | 0.0012 | -0.611 | -0.0447 | 0.1702 | -0.0334 | -0.0193 | 0.0291 | -0.1571 | -0.0445 | -0.0956 | -9.8183 | 21.3662 | -10.0975 | 18 | 25.8908 | -23.6365 | 7.2681 | 35.3607 | 1.0183 | 6.2906 | -0.473 | -0.6461 | 0.7797 | 0.4409 | 0.1923 | 0.3228 | -0.959 | -0.3814 | 0.2807 | 0.1957 | -0.0103 | 0.0101 | -0.0438 | -0.0794 | 0.0575 | -9.181 | 26.1346 | -4.9324 | 19 | 2.4135 | -4.0015 | 5.1006 | 28.9646 | -28.323 | 31.8167 | 0.0332 | 0.0239 | 0.0703 | -0.0409 | 0.3229 | 0.2303 | -0.2377 | -0.5301 | -0.3562 | -0.1573 | 0.04 | 0.0371 | -0.1157 | -0.005 | -0.1165 | -15.7622 | 7.0399 | -28.4946 | 20 | 0.3175 | -1.2282 | 1.0518 | 9.7839 | 4.2041 | 17.0894 | 0.1237 | 0.1906 | -0.1182 | -0.3524 | -0.0857 | 0.0268 | 0.3095 | 0.1338 | -0.0381 | -0.0666 | -0.0149 | -0.0278 | -0.1299 | -0.0112 | -0.1098 | -11.534 | -7.4618 | -25.3734 | 21 | 13.1384 | 0.4152 | 6.8884 | 10.0242 | -4.2967 | 12.1491 | 0.1732 | 0.5219 | -0.6172 | -0.9745 | -0.1854 | 0.1082 | 0.7234 | 0.4136 | 0.0122 | 0.0244 | 0.023 | -0.0545 | -0.1396 | -0.0274 | -0.1069 | -13.8953 | -7.079 | -34.5537 | 22 | 9.3231 | -9.0562 | 5.2968 | 12.2815 | -1.7959 | 9.9742 | 0.2828 | 0.2364 | 0.1158 | -0.5214 | -0.0239 | 0.6245 | 0.2389 | -0.3336 | -0.2589 | -0.0751 | -0.0222 | -0.0693 | -0.0766 | 0.0003 | -0.0515 | -20.4619 | 0.6022 | -35.7827 | 23 | 11.2923 | -0.4792 | -1.7747 | 26.0063 | -2.5778 | 5.131 | 0.055 | 0.4251 | -0.0532 | -0.3909 | -0.0706 | 0.2681 | -0.3494 | -0.3635 | 0.0156 | -0.0303 | 0.073 | -0.0773 | -0.0034 | -0.018 | -0.0121 | -24.9445 | 9.3094 | -37.9655 | 24 | 25.875 | -7.1673 | 9.4471 | 18.0987 | 5.645 | 30.1604 | 0.3769 | 1.5681 | -0.3561 | -1.0491 | 0.083 | 0.3785 | 0.0285 | 0.192 | -0.4599 | 0.0268 | 0.0128 | -0.0753 | 0.0015 | -0.0228 | -0.1039 | -16.5098 | 9.4514 | -41.7719 | 25 | 2.204 | -3.3954 | 3.6519 | 8.6526 | -10.1815 | 12.1875 | 0.0175 | 0.0398 | 0.0202 | 0.0289 | -0.131 | -0.1124 | -0.1302 | 0.1174 | 0.1135 | -0.1335 | -0.0014 | 0.0034 | -0.1344 | -0.0088 | -0.1474 | -10.8755 | 2.0381 | -26.906 | 26 | 14.0689 | -4.8089 | -0.076 | 4.7203 | 0.6772 | 7.9411 | -0.1741 | -0.4595 | -0.4026 | 0.2017 | 0.1061 | 0.5995 | 0.2356 | -0.5233 | 0.068 | -0.1215 | -0.0235 | 0.0408 | -0.1431 | 0.0022 | -0.0876 | -17.1222 | -3.485 | -11.8859 | 27 | 1.4271 | -2.7766 | -1.1333 | 15.5915 | 12.8687 | 18.9536 | 0.0144 | 0.1356 | -0.4117 | -0.1237 | -0.0555 | 0.4242 | 0.76 | -0.2853 | 0.0411 | -0.0252 | -0.0575 | 0.0222 | -0.1069 | -0.0044 | -0.036 | -14.9045 | -11.0773 | -17.3479 | 28 | 51.0471 | -4.7084 | 4.9583 | 3.1156 | 0.3355 | 2.5085 | 0.0697 | 0.16 | -0.1154 | 0.1792 | 0.1164 | -0.1765 | -0.1894 | -0.0619 | -0.1862 | -0.1464 | -0.012 | 0.004 | -0.1924 | -0.0227 | -0.051 | -12.4375 | 12.0011 | -13.5187 | 29 | 1.5728 | 0.5507 | 0.8912 | 7.7934 | 9.4643 | 11.5256 | 0.0241 | -0.2787 | 0.225 | -0.2849 | -0.2503 | 0.4886 | -0.8396 | -0.4706 | 0.2263 | 0.0817 | 0.143 | 0.1467 | 0.0276 | 0.0323 | 0.0266 | -24.997 | 19.7194 | -8.7957 | 30 | 16.8166 | -9.6044 | 5.4473 | 8.1664 | -3.8562 | 10.82 | -0.2149 | -0.8646 | 0.4734 | 0.4689 | 0.2837 | -0.0725 | -0.821 | -0.6619 | -0.0689 | 0.0048 | 0.0375 | 0.0974 | -0.0412 | -0.0196 | -0.052 | -18.1218 | 19.3216 | -3.3158 | 31 | 19.6817 | -9.554 | 4.5756 | 21.8329 | -2.5224 | 5.7484 | 0.0439 | -0.9821 | 0.0355 | 0.5894 | 0.2497 | -0.0089 | -0.0628 | -0.0871 | -0.2936 | -0.0953 | -0.034 | 0.0119 | -0.0581 | -0.0097 | -0.1364 | -10.4593 | 11.7433 | -1.4642 | 32 | 11.4238 | 6.9748 | 1.1728 | 11.142 | -4.07 | 6.3259 | 0.2179 | -0.4425 | -0.5711 | 0.4986 | -0.166 | -0.2732 | -0.2615 | 0.0824 | -0.0519 | 0.0296 | -0.0211 | -0.0777 | -0.0332 | -0.0027 | -0.056 | -4.301 | 9.2151 | -1.3504 | 33 | 21.1935 | -2.4854 | 9.665 | 5.3457 | -3.1356 | 10.5764 | -0.0519 | -0.2456 | -0.0261 | 0.2362 | -0.0247 | -0.3286 | -0.1712 | 0.4662 | 0.0766 | -0.1204 | -0.0119 | -0.0051 | -0.1406 | -0.0234 | -0.1003 | -5.6821 | 15.3583 | -8.943 | 34 | 32.4161 | 8.5505 | 20.5096 | 3.0036 | 6.5506 | 14.7154 | -0.0615 | -0.447 | 0.4051 | 0.1983 | -0.1911 | 0.3949 | -0.2124 | -0.7156 | 0.2526 | -0.1446 | 0.0402 | 0.0277 | -0.0651 | 0.0016 | -0.0346 | -23.7256 | 16.0249 | -15.8626 | 35 | 7.9258 | -7.1402 | 2.0154 | 26.1006 | -5.2107 | 5.5058 | 0.1048 | 0.1016 | -0.1198 | 0.4147 | -0.2404 | 0.7264 | -0.1103 | -0.1775 | 0.1356 | -0.1695 | -0.0234 | 0.0585 | 0.0082 | -0.0042 | 0.0118 | -27.6021 | 7.0477 | -19.1284 | 36 | 9.3319 | -11.9525 | -4.9534 | 24.1625 | 6.4427 | 11.2832 | 0.5447 | -0.0027 | -0.0384 | -0.54 | -0.3185 | 1.3229 | -0.6491 | -0.3809 | -0.2262 | -0.0553 | -0.0881 | 0.0509 | 0.1586 | 0.0297 | 0.2719 | -33.2252 | 4.7591 | -18.85 | 37 | 2.0787 | -4.7799 | -2.6257 | 18.9155 | 11.0031 | 7.7599 | -0.0209 | -0.0593 | 0.0957 | -0.1188 | 0.0532 | -0.2351 | -0.2013 | 0.1502 | -0.0322 | -0.1486 | 0.0113 | -0.0033 | -0.1241 | 0.004 | -0.1186 | -3.3399 | 10.4214 | -24.987 | 38 | 7.8392 | 9.3997 | 3.5242 | 17.864 | 8.8483 | 7.6109 | 0.0187 | 0.2592 | -0.7216 | -0.1437 | 0.1799 | -1.2008 | -0.0458 | 0.6249 | -0.1986 | -0.1188 | 0.0165 | 0.0808 | -0.0784 | 0.0346 | 0.0467 | 8.7109 | 8.247 | -27.7079 | 39 | 1.9251 | -3.4297 | -0.6637 | 16.4997 | -2.8605 | 3.1235 | 0.1053 | 0.034 | 0.0474 | 0.2316 | -0.1688 | -0.0935 | -0.0763 | 0.0607 | 0.0635 | -0.191 | -0.0273 | 0.0136 | -0.1208 | 0.042 | -0.0523 | 5.4333 | 15.894 | -24.4729 | 40 | 30.5223 | -9.6507 | 3.1823 | 23.957 | 3.5329 | 5.289 | -0.0742 | 0.0531 | 0.4778 | -0.1578 | 0.1041 | -0.252 | -0.023 | 0.2024 | -0.0298 | -0.1315 | -0.0208 | 0.0388 | -0.1254 | 0.0497 | -0.0856 | 1.0457 | 25.0748 | -23.9088 | 41 | 8.9167 | -7.4164 | 7.4361 | 15.3808 | -6.1668 | 11.8047 | -0.0211 | 0.0061 | 0.1156 | 0.3628 | -0.258 | -0.2825 | -0.4528 | 0.2637 | 0.2791 | -0.0941 | -0.058 | 0.0046 | -0.1093 | 0.0238 | 0.054 | -0.6985 | 28.1452 | -19.2406 | 42 | 2.9451 | -0.4301 | -0.4853 | 24.573 | 7.9332 | 6.9677 | -0.0522 | -0.2051 | 0.2691 | 0.4904 | 0.2106 | -0.4026 | -0.304 | 0.2728 | -0.1584 | -0.1453 | -0.0033 | -0.0248 | -0.1363 | 0.0071 | -0.1136 | -1.3626 | 17.5499 | -17.0223 | 43 | 2.8505 | 2.2203 | 3.4335 | 3.5646 | 3.1553 | 6.8308 | 0.3216 | 0.0598 | -0.12 | 0.0079 | -0.1043 | -0.2744 | 0.3037 | -0.1051 | -0.2173 | -0.1075 | 0.0241 | 0.0059 | -0.146 | -0.0097 | -0.1382 | -4.7996 | 1.5932 | -27.9565 | 44 | 11.9911 | 0.8699 | 7.568 | 13.914 | 1.6193 | 13.199 | 0.0403 | 0.5549 | 0.2028 | -1.254 | -0.0789 | 0.282 | -0.117 | 0.0397 | 0.0385 | -0.0514 | 0.0479 | 0.0067 | -0.1067 | -0.0225 | -0.1368 | -9.6093 | 4.5813 | -38.4253 | 45 | 24.7122 | 6.393 | 4.1554 | 8.6531 | 0.9523 | 5.2165 | 0.4364 | -0.2137 | -0.5217 | -0.1169 | -0.1795 | -1.2725 | 0.1016 | 0.9063 | -0.2569 | -0.0007 | 0.0457 | 0.0439 | 0.0789 | -0.0349 | 0.0267 | 1.7538 | 1.0451 | -34.7485 | 46 | 7.4654 | -8.7572 | 1.1422 | 39.5536 | -22.0565 | 22.9118 | -0.1585 | -0.3202 | -0.2498 | -0.0805 | 0.1525 | 0.1632 | 0.1469 | -0.3731 | 0.0059 | -0.1979 | 0.0229 | 0.0485 | -0.1044 | 0.0041 | -0.0829 | -19.1563 | 4.9087 | -23.586 | 47 | 1.3737 | 2.8452 | 1.7604 | 10.96 | -4.6456 | 15.8241 | -0.2826 | 0.1846 | 0.4775 | -0.0873 | -0.043 | 0.9007 | -0.5602 | -0.6753 | 0.3256 | -0.0915 | 0.0754 | -0.0312 | -0.061 | -0.0319 | 0.0222 | -23.881 | 16.3339 | -30.9234 | 48 | 25.2348 | 12.0485 | -12.5532 | 74.6608 | -2.8356 | 6.3894 | 0.1943 | 0.3117 | 1.0696 | 0.0984 | 0.6474 | 2.9553 | 0.1061 | -2.0392 | -0.8417 | -0.2172 | 0.1422 | -0.0934 | 0.2532 | 0.1025 | 0.2816 | -33.2641 | 12.1446 | -30.0799 | 49 | 7.959 | -4.3784 | -1.3783 | 14.3942 | 1.3105 | 6.3332 | -0.0896 | 0.3041 | -0.1366 | -0.8931 | 0.2779 | 1.2492 | 0.3166 | -0.8777 | -0.1884 | -0.0357 | -0.0994 | -0.0949 | 0.1148 | 0.0345 | 0.0921 | -29.1318 | 2.3664 | -29.3814 | 50 | 2.7709 | 1.0918 | -5.8219 | 6.3646 | 1.0779 | 14.1485 | -0.5434 | 0.1145 | -0.7893 | -0.4718 | -0.1856 | -0.0224 | 1.4393 | -0.682 | 0.729 | 0.1464 | -0.107 | 0.0438 | 0.0111 | -0.0243 | 0.1831 | -24.1487 | -6.958 | -26.7392 | 51 | 5.9046 | 0.6457 | 1.1122 | 15.4444 | 7.4892 | 6.8276 | 0.2493 | -0.1698 | -0.6058 | 0.223 | -0.2448 | 0.392 | 1.0968 | -0.3938 | -0.0045 | -0.084 | -0.0652 | 0.0217 | -0.0448 | 0.0275 | 0.0129 | -24.4551 | -1.3927 | -19.7984 | 52 | 5.272 | 7.7715 | -5.5782 | 23.7511 | -14.6741 | 9.2872 | 0.0287 | 0.2887 | 0.3494 | -0.1385 | 0.137 | 0.7904 | -0.0956 | -0.3977 | -0.1657 | -0.0961 | 0.048 | -0.0099 | -0.0923 | -0.0211 | -0.043 | -21.6167 | 16.5156 | -27.7304 | 53 | 10.6508 | -4.731 | -5.2037 | 12.3781 | 6.0243 | 9.9317 | 0.2158 | 0.431 | 0.2343 | -0.1758 | -0.1105 | -0.0123 | -0.1251 | -0.324 | -0.1053 | -0.0737 | 0.0268 | -0.0576 | -0.0589 | 0.0248 | -0.1246 | -12.5379 | 18.6995 | -34.9802 | 54 | 9.3926 | -2.6415 | 6.8196 | 28.5611 | -12.6741 | 10.6506 | -0.4466 | 0.0562 | 0.5987 | -0.8753 | 0.782 | 0.5643 | -0.961 | -1.0945 | -0.3353 | 0.1136 | 0.0663 | -0.0004 | 0.0942 | 0.0706 | 0.019 | -12.957 | 21.9984 | -40.0575 |
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精密化 TLSグループ | ID | Refine-ID | Refine TLS-ID | Auth asym-ID | Auth seq-ID |
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1 | X-RAY DIFFRACTION | 1 | A2 - 8 | 2 | X-RAY DIFFRACTION | 2 | A9 - 13 | 3 | X-RAY DIFFRACTION | 3 | A14 - 22 | 4 | X-RAY DIFFRACTION | 4 | A23 - 28 | 5 | X-RAY DIFFRACTION | 5 | A29 - 34 | 6 | X-RAY DIFFRACTION | 6 | A35 - 39 | 7 | X-RAY DIFFRACTION | 7 | A40 - 47 | 8 | X-RAY DIFFRACTION | 8 | A48 - 54 | 9 | X-RAY DIFFRACTION | 9 | A55 - 62 | 10 | X-RAY DIFFRACTION | 10 | B2 - 8 | 11 | X-RAY DIFFRACTION | 11 | B9 - 14 | 12 | X-RAY DIFFRACTION | 12 | B15 - 21 | 13 | X-RAY DIFFRACTION | 13 | B22 - 29 | 14 | X-RAY DIFFRACTION | 14 | B30 - 36 | 15 | X-RAY DIFFRACTION | 15 | B37 - 41 | 16 | X-RAY DIFFRACTION | 16 | B42 - 48 | 17 | X-RAY DIFFRACTION | 17 | B49 - 55 | 18 | X-RAY DIFFRACTION | 18 | B56 - 59 | 19 | X-RAY DIFFRACTION | 19 | C2 - 7 | 20 | X-RAY DIFFRACTION | 20 | C8 - 14 | 21 | X-RAY DIFFRACTION | 21 | C15 - 19 | 22 | X-RAY DIFFRACTION | 22 | C20 - 26 | 23 | X-RAY DIFFRACTION | 23 | C27 - 34 | 24 | X-RAY DIFFRACTION | 24 | C35 - 39 | 25 | X-RAY DIFFRACTION | 25 | C40 - 47 | 26 | X-RAY DIFFRACTION | 26 | C48 - 56 | 27 | X-RAY DIFFRACTION | 27 | C57 - 63 | 28 | X-RAY DIFFRACTION | 28 | D2 - 7 | 29 | X-RAY DIFFRACTION | 29 | D8 - 15 | 30 | X-RAY DIFFRACTION | 30 | D16 - 22 | 31 | X-RAY DIFFRACTION | 31 | D23 - 29 | 32 | X-RAY DIFFRACTION | 32 | D30 - 36 | 33 | X-RAY DIFFRACTION | 33 | D37 - 42 | 34 | X-RAY DIFFRACTION | 34 | D43 - 48 | 35 | X-RAY DIFFRACTION | 35 | D49 - 54 | 36 | X-RAY DIFFRACTION | 36 | D55 - 58 | 37 | X-RAY DIFFRACTION | 37 | E2 - 10 | 38 | X-RAY DIFFRACTION | 38 | E11 - 16 | 39 | X-RAY DIFFRACTION | 39 | E17 - 24 | 40 | X-RAY DIFFRACTION | 40 | E25 - 29 | 41 | X-RAY DIFFRACTION | 41 | E30 - 36 | 42 | X-RAY DIFFRACTION | 42 | E37 - 43 | 43 | X-RAY DIFFRACTION | 43 | E44 - 50 | 44 | X-RAY DIFFRACTION | 44 | E51 - 56 | 45 | X-RAY DIFFRACTION | 45 | E57 - 64 | 46 | X-RAY DIFFRACTION | 46 | F2 - 6 | 47 | X-RAY DIFFRACTION | 47 | F7 - 12 | 48 | X-RAY DIFFRACTION | 48 | F13 - 18 | 49 | X-RAY DIFFRACTION | 49 | F19 - 27 | 50 | X-RAY DIFFRACTION | 50 | F28 - 36 | 51 | X-RAY DIFFRACTION | 51 | F37 - 41 | 52 | X-RAY DIFFRACTION | 52 | F42 - 48 | 53 | X-RAY DIFFRACTION | 53 | F49 - 55 | 54 | X-RAY DIFFRACTION | 54 | F56 - 58 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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