ソフトウェア | 名称 | バージョン | 分類 |
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ADSC | Quantumデータ収集 | PHENIX | | モデル構築 | 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 | PHENIX | | 位相決定 | | |
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精密化 | 構造決定の手法: 単波長異常分散 / 解像度: 1.5→50 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.963 / SU B: 2.02 / SU ML: 0.039 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R: 0.066 / ESU R Free: 0.066 / 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 | 0.17914 | 6478 | 5 % | RANDOM |
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Rwork | 0.15622 | - | - | - |
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obs | 0.15737 | 123190 | 97.92 % | - |
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all | - | 132508 | - | - |
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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: 1.4 Å / 溶媒モデル: MASK |
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原子変位パラメータ | Biso mean: 15.625 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | -0.02 Å2 | 0 Å2 | 0 Å2 |
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2- | - | -0.03 Å2 | 0 Å2 |
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3- | - | - | 0.05 Å2 |
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精密化ステップ | サイクル: LAST / 解像度: 1.5→50 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 6023 | 0 | 15 | 787 | 6825 |
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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_d0.011 | 0.021 | 6416 | X-RAY DIFFRACTION | r_bond_other_d0.002 | 0.02 | 4425 | X-RAY DIFFRACTION | r_angle_refined_deg1.37 | 1.958 | 8685 | X-RAY DIFFRACTION | r_angle_other_deg0.931 | 3 | 10773 | X-RAY DIFFRACTION | r_dihedral_angle_1_deg6.396 | 5 | 795 | X-RAY DIFFRACTION | r_dihedral_angle_2_deg36.481 | 23.013 | 302 | X-RAY DIFFRACTION | r_dihedral_angle_3_deg13.039 | 15 | 1151 | X-RAY DIFFRACTION | r_dihedral_angle_4_deg14.082 | 15 | 68 | X-RAY DIFFRACTION | r_chiral_restr0.084 | 0.2 | 1005 | X-RAY DIFFRACTION | r_gen_planes_refined0.005 | 0.02 | 7092 | X-RAY DIFFRACTION | r_gen_planes_other0.001 | 0.02 | 1302 | X-RAY DIFFRACTION | r_nbd_refined0.206 | 0.2 | 1216 | X-RAY DIFFRACTION | r_nbd_other0.201 | 0.2 | 4958 | X-RAY DIFFRACTION | r_nbtor_refined0.172 | 0.2 | 3095 | X-RAY DIFFRACTION | r_nbtor_other0.085 | 0.2 | 3530 | X-RAY DIFFRACTION | r_xyhbond_nbd_refined0.131 | 0.2 | 575 | X-RAY DIFFRACTION | r_xyhbond_nbd_other | | | X-RAY DIFFRACTION | r_metal_ion_refined | | | X-RAY DIFFRACTION | r_metal_ion_other | | | X-RAY DIFFRACTION | r_symmetry_vdw_refined0.224 | 0.2 | 13 | X-RAY DIFFRACTION | r_symmetry_vdw_other0.244 | 0.2 | 64 | X-RAY DIFFRACTION | r_symmetry_hbond_refined0.141 | 0.2 | 45 | X-RAY DIFFRACTION | r_symmetry_hbond_other | | | X-RAY DIFFRACTION | r_symmetry_metal_ion_refined | | | X-RAY DIFFRACTION | r_symmetry_metal_ion_other | | | X-RAY DIFFRACTION | r_mcbond_it0.975 | 1.5 | 5198 | X-RAY DIFFRACTION | r_mcbond_other0.194 | 1.5 | 1651 | X-RAY DIFFRACTION | r_mcangle_it1.147 | 2 | 6445 | X-RAY DIFFRACTION | r_scbond_it1.948 | 3 | 2670 | X-RAY DIFFRACTION | r_scangle_it2.855 | 4.5 | 2240 | X-RAY DIFFRACTION | r_rigid_bond_restr | | | X-RAY DIFFRACTION | r_sphericity_free | | | X-RAY DIFFRACTION | r_sphericity_bonded | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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LS精密化 シェル | 解像度: 1.5→1.539 Å / Total num. of bins used: 20
| Rfactor | 反射数 | %反射 |
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Rfree | 0.253 | 455 | - |
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Rwork | 0.207 | 9026 | - |
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obs | - | - | 97.73 % |
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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 | 1.2089 | -0.1129 | 0.1205 | 4.9331 | 2.2658 | 2.3821 | -0.1155 | 0.2597 | 0.1374 | -0.324 | 0.0599 | 0.1282 | -0.219 | -0.0052 | 0.0556 | -0.0254 | -0.0243 | -0.0498 | 0.0178 | 0.0211 | -0.0396 | -14.852 | 42.946 | -22.6 | 2 | 3.6457 | 0.2474 | -0.4873 | 6.5781 | 4.8339 | 8.3207 | -0.0482 | 0.3723 | 0.3413 | -0.7039 | 0.1139 | -0.1594 | -0.8606 | 0.4042 | -0.0657 | 0.067 | -0.0962 | -0.0187 | 0.0539 | 0.0699 | -0.0707 | -10.166 | 47.34 | -28.132 | 3 | 7.4339 | -0.1211 | 0.645 | 1.9289 | 0.5043 | 4.1129 | -0.0659 | 0.5902 | 0.012 | -0.469 | 0.0725 | -0.0501 | -0.2783 | 0.3139 | -0.0066 | 0.0282 | -0.0666 | -0.0357 | 0.0333 | 0.0086 | -0.152 | -15.342 | 39.787 | -34.73 | 4 | 10.168 | 3.2053 | -2.157 | 5.1033 | -3.2367 | 9.1821 | -0.0126 | 0.5251 | 0.9849 | -0.0777 | 0.0959 | 1.0637 | -1.0667 | -0.9489 | -0.0833 | 0.0635 | 0.1176 | -0.1749 | 0.0367 | 0.039 | 0.0742 | -30.177 | 49.714 | -26.87 | 5 | 9.2523 | -0.6973 | -3.0432 | 4.7515 | 0.8999 | 11.2116 | -0.037 | 0.7293 | 0.266 | -0.8189 | -0.0834 | -0.0889 | -0.6651 | -0.0166 | 0.1205 | 0.1218 | -0.0632 | -0.1179 | -0.0245 | 0.1195 | -0.13 | -17.174 | 48.849 | -34.305 | 6 | 6.1357 | -0.8273 | 1.3174 | 0.2764 | -0.8856 | 3.3223 | 0.056 | 0.5363 | 0.0543 | -0.3997 | -0.1141 | 0.4629 | -0.4785 | -0.4804 | 0.0581 | 0.0726 | 0.0203 | -0.0764 | 0.0213 | -0.0542 | 0.0862 | -31.792 | 41.22 | -32.595 | 7 | 4.3589 | 2.2304 | 0.5426 | 2.7687 | -0.2701 | 4.7472 | -0.1991 | 0.8946 | 0.0394 | -0.4012 | 0.2761 | 0.1376 | 0.1534 | -0.0677 | -0.077 | 0.0372 | -0.0413 | -0.1246 | 0.0892 | -0.0084 | -0.0504 | -29.903 | 34.035 | -37.486 | 8 | 2.9241 | -0.188 | -1.2662 | 1.0871 | 0.9416 | 3.8365 | -0.0378 | 0.1031 | 0.1027 | -0.1922 | -0.0942 | 0.2043 | -0.1622 | -0.2051 | 0.1321 | -0.0357 | -0.011 | -0.0753 | 0.003 | 0.0013 | -0.0414 | -24.166 | 40.954 | -24.762 | 9 | 2.4276 | -0.2661 | 0.7875 | 4.0749 | 5.3759 | 7.63 | 0.0006 | -0.0785 | 0.1297 | -0.2633 | -0.1104 | 0.304 | 0.0675 | -0.5436 | 0.1098 | -0.0461 | -0.0482 | -0.0624 | 0.0913 | -0.022 | -0.0016 | -32.582 | 35.628 | -24.669 | 10 | 6.7657 | -0.374 | 1.4391 | 2.9916 | 1.0974 | 3.9709 | 0.0545 | 0.134 | -0.3332 | -0.1839 | -0.0159 | 0.125 | 0.342 | -0.1129 | -0.0386 | 0.0143 | -0.0371 | -0.0543 | -0.0079 | -0.043 | -0.038 | -21.86 | 27.848 | -30.073 | 11 | 1.6206 | 0.1669 | -0.9481 | 0.272 | -0.9972 | 3.7308 | -0.0972 | 0.061 | 0.0239 | -0.1657 | -0.0073 | 0.2994 | 0.0519 | -0.2133 | 0.1045 | -0.0339 | -0.0299 | -0.0549 | 0.0248 | -0.0094 | -0.0159 | -20.873 | 39.045 | -21.167 | 12 | 0.6811 | -0.499 | -0.4205 | 1.2418 | 1.4743 | 4.1191 | -0.0123 | 0.022 | -0.0174 | -0.0866 | -0.1799 | 0.2608 | -0.0723 | -0.495 | 0.1922 | -0.0928 | -0.0375 | -0.0135 | 0.0393 | -0.0023 | 0.0065 | -25.842 | 38.51 | -7.178 | 13 | 1.4832 | 1.0496 | 1.9196 | 1.6603 | 2.1572 | 6.931 | 0.0961 | 0.0766 | -0.1501 | 0.0072 | 0.0528 | 0.0201 | 0.0185 | -0.382 | -0.149 | -0.0788 | -0.0485 | -0.0073 | 0.0539 | -0.0004 | 0.0045 | -27.452 | 37.451 | -0.976 | 14 | 0.4655 | 0.149 | 0.6641 | 1.2396 | -0.1872 | 3.028 | 0.0231 | 0.0757 | 0.0157 | -0.2049 | -0.0477 | 0.0768 | 0.202 | -0.2375 | 0.0246 | -0.0562 | -0.0413 | -0.0166 | 0.0258 | -0.017 | 0.0084 | -20.663 | 34.416 | -14.969 | 15 | 2.0685 | 1.503 | -0.3098 | 2.9882 | 0.3926 | 2.7918 | 0.0453 | 0.0316 | -0.0205 | 0.0261 | -0.047 | 0.1467 | -0.144 | -0.1077 | 0.0016 | -0.06 | -0.0095 | -0.0088 | 0.0002 | -0.0033 | -0.0039 | -19.275 | 43.882 | -5.171 | 16 | 0.2315 | 0.3885 | 0.7435 | 5.7642 | 0.8599 | 2.4175 | -0.0024 | 0.1183 | 0.0604 | 0.002 | -0.0927 | 0.2757 | 0.403 | -0.3006 | 0.0951 | -0.0254 | -0.0701 | -0.014 | 0.0148 | -0.0061 | 0.0174 | -19.79 | 30.42 | -5.584 | 17 | 1.7835 | 0.2012 | 0.674 | 3.2714 | 1.5673 | 2.6973 | -0.0016 | 0.2021 | -0.0536 | -0.1705 | 0.015 | 0.0397 | 0.0344 | 0.0749 | -0.0133 | -0.0404 | -0.0183 | -0.0189 | 0.0122 | 0.0047 | -0.0344 | -11.489 | 37.414 | -19.083 | 18 | 1.4779 | 0.797 | 0.1099 | 3.414 | -0.0329 | 2.614 | -0.0098 | 0.1243 | 0.0249 | -0.2491 | 0.1248 | -0.0508 | -0.0527 | 0.1474 | -0.115 | -0.0526 | -0.0201 | -0.0244 | 0.0116 | 0.0146 | -0.0172 | -7.601 | 39.69 | -15.877 | 19 | 2.1277 | 0.4452 | -1.5719 | 1.6501 | -0.3478 | 2.6313 | -0.1827 | 0.2008 | -0.0059 | -0.0615 | 0.1028 | 0.0908 | 0.4564 | -0.2856 | 0.0798 | -0.0185 | -0.0529 | -0.0156 | -0.036 | 0.0113 | -0.0025 | -15.575 | 28.266 | 0.353 | 20 | 7.0736 | -1.0661 | -0.6702 | 2.6359 | -1.0933 | 2.1028 | -0.0248 | -0.0977 | -0.2908 | 0.014 | 0.1179 | 0.3154 | 0.0933 | -0.2126 | -0.0931 | -0.0421 | -0.0676 | -0.0044 | -0.0064 | 0.0112 | 0.0044 | -24.723 | 32.994 | 7.805 | 21 | 1.0938 | 1.3817 | -1.8155 | 2.8169 | -3.0015 | 5.5386 | 0.0559 | 0.0799 | 0.0136 | -0.0103 | 0.0151 | 0.0166 | 0.09 | 0.0363 | -0.071 | -0.0521 | -0.0126 | -0.0223 | -0.0009 | 0.0098 | -0.0132 | -6.089 | 35.978 | -7.227 | 22 | 20.0679 | 14.0655 | 3.0143 | 15.7698 | 2.9616 | 3.0695 | -0.1964 | 0.538 | -0.963 | 0.0583 | 0.4624 | -0.7357 | 0.6655 | 0.2926 | -0.266 | -0.0219 | 0.0527 | -0.0123 | -0.0212 | -0.0248 | -0.0288 | -3.157 | 29.999 | -12.184 | 23 | 3.4882 | -0.9493 | 1.499 | 1.5052 | -0.3638 | 2.1916 | -0.0286 | -0.098 | 0.0268 | 0.1285 | -0.0418 | 0.1362 | -0.1234 | -0.1469 | 0.0705 | -0.0028 | -0.0375 | 0.0155 | -0.019 | -0.0144 | -0.0425 | -16.031 | 46.538 | 22.242 | 24 | 4.9178 | -0.8638 | 2.9858 | 2.9474 | -2.3493 | 6.9676 | -0.0313 | -0.3188 | -0.0654 | 0.2657 | 0.1038 | 0.3773 | 0.0962 | -0.728 | -0.0725 | -0.0267 | -0.0506 | 0.0603 | 0.0724 | -0.0166 | -0.0223 | -22.44 | 45.093 | 27.551 | 25 | 2.1906 | 1.5545 | 0.4969 | 4.3295 | -0.0043 | 2.0924 | -0.0206 | -0.1526 | -0.0195 | 0.1955 | -0.055 | 0.15 | 0.0703 | -0.2396 | 0.0756 | 0 | -0.0215 | 0.0375 | 0.0028 | -0.0093 | -0.0768 | -13.999 | 47.126 | 34.585 | 26 | 11.4088 | 0.9889 | -4.7422 | 1.1527 | -1.3594 | 7.2397 | 0.1054 | 0.0576 | 0.6649 | 0.0294 | -0.006 | 0.1064 | -1.0026 | -0.3644 | -0.0994 | 0.1422 | 0.048 | -0.0329 | -0.058 | -0.0158 | -0.021 | -15.239 | 63.606 | 24.434 | 27 | 1.8204 | 0.3386 | 1.02 | 3.6437 | -2.0157 | 6.9666 | -0.1816 | -0.0632 | 0.0635 | 0.1455 | -0.0391 | 0.2197 | -0.3216 | -0.4358 | 0.2207 | -0.0444 | 0.0211 | 0.0388 | 0.0296 | -0.0552 | -0.0353 | -21.162 | 52.743 | 32.811 | 28 | 4.042 | 1.6839 | -1.6452 | 2.1541 | -1.2317 | 2.6976 | -0.0696 | 0.1383 | 0.3134 | 0.1934 | 0.0213 | 0.0974 | -0.5117 | -0.1118 | 0.0482 | 0.0861 | -0.0194 | -0.038 | -0.06 | -0.0054 | -0.0619 | -7.349 | 61.989 | 30.936 | 29 | 2.1814 | 1.3179 | -0.4181 | 3.3756 | -0.6235 | 5.1638 | 0.0127 | -0.0805 | 0.0684 | 0.0794 | -0.0947 | 0.0613 | -0.19 | 0.0775 | 0.0819 | 0.0217 | -0.001 | -0.0102 | -0.0224 | -0.0033 | -0.072 | -2.244 | 57.747 | 36.825 | 30 | 0.6742 | 0.1294 | -0.1285 | 0.9869 | -0.5888 | 2.4975 | -0.1032 | 0.0379 | 0.0369 | 0.0138 | 0.0028 | 0.0465 | -0.1864 | 0.0081 | 0.1004 | 0.0194 | -0.0292 | -0.0077 | -0.0153 | -0.0055 | -0.0574 | -10.075 | 54.114 | 23.893 | 31 | 3.0659 | -0.4912 | 4.0069 | 0.8497 | -1.1255 | 5.9308 | -0.2643 | 0.1115 | 0.0802 | -0.064 | 0.1813 | -0.0223 | -0.2844 | 0.178 | 0.0829 | 0.0452 | -0.0723 | -0.0147 | 0.0113 | 0.0101 | -0.0745 | -1.322 | 59.123 | 23.822 | 32 | 3.8686 | 1.1697 | 0.1316 | 7.6659 | -0.1445 | 2.9524 | -0.1764 | 0.0095 | -0.1614 | 0.079 | 0.1813 | -0.4938 | 0.0144 | 0.1264 | -0.005 | -0.0124 | -0.0085 | -0.0037 | -0.0064 | -0.0193 | -0.0384 | 0.078 | 46.895 | 31.057 | 33 | 0.4723 | -0.1371 | -1.2901 | 0.0398 | 0.3746 | 3.5236 | -0.076 | 0.0027 | 0.103 | -0.0108 | -0.03 | -0.0054 | -0.1819 | 0.1997 | 0.106 | 0.0261 | -0.0583 | -0.0093 | -0.0003 | 0.0041 | -0.0399 | -9.639 | 49.821 | 20.867 | 34 | 0.1972 | -0.1723 | 0.5295 | 0.624 | -0.498 | 3.2229 | -0.0583 | -0.061 | 0.0613 | 0.0782 | -0.033 | 0.0158 | -0.4324 | 0.0747 | 0.0913 | -0.002 | -0.0671 | -0.0066 | -0.0077 | 0.0088 | -0.0325 | -5.705 | 52.035 | 6.705 | 35 | 0.4886 | 0.3538 | 1.0811 | 0.5277 | 0.3888 | 4.956 | 0.1196 | -0.0631 | -0.1195 | 0.0301 | -0.0219 | -0.0469 | -0.2798 | 0.1534 | -0.0977 | -0.0051 | -0.0575 | -0.0068 | 0.0097 | 0.0115 | -0.0268 | -3.463 | 52.07 | 0.642 | 36 | 1.3028 | -0.4949 | 0.1613 | 0.8828 | 0.6925 | 2.9062 | -0.0408 | -0.0558 | -0.1192 | 0.141 | 0.0904 | 0.0911 | -0.1268 | 0.2434 | -0.0496 | -0.0013 | -0.0672 | -0.0059 | -0.0037 | 0.0218 | -0.0374 | -5.105 | 46.56 | 15.282 | 37 | 3.0816 | 0.617 | -0.1849 | 1.6697 | -0.609 | 3.3284 | 0.0235 | -0.0067 | 0.0541 | 0.1125 | -0.0656 | 0.043 | -0.12 | -0.1341 | 0.0421 | -0.016 | -0.0368 | -0.0142 | -0.0053 | 0.0143 | -0.0385 | -13.361 | 48.453 | 4.568 | 38 | 6.6312 | -1.5766 | 1.6022 | 0.738 | -1.2487 | 4.5779 | -0.0407 | 0.1578 | 0.3255 | 0.1017 | -0.175 | 0.0068 | -0.104 | 0.7052 | 0.2157 | -0.0453 | -0.0624 | -0.0262 | 0.0649 | 0.0297 | -0.0353 | -1.411 | 42.985 | 6.809 | 39 | 2.9131 | -0.6674 | 1.4219 | 0.9379 | -0.0034 | 1.4057 | -0.0484 | -0.0559 | -0.0118 | 0.0997 | 0.0464 | 0.0233 | 0.0484 | -0.0939 | 0.002 | -0.0013 | -0.0394 | 0.0093 | -0.0227 | -0.0064 | -0.0328 | -12.515 | 40.545 | 19.809 | 40 | 2.7509 | -0.5177 | 0.1625 | 0.7125 | -0.4436 | 2.4446 | 0.0285 | -0.1022 | -0.0442 | 0.0823 | 0.027 | 0.107 | 0.0631 | -0.1657 | -0.0555 | -0.0092 | -0.0656 | 0.0119 | -0.0231 | -0.0115 | -0.0129 | -16.017 | 37.788 | 16.717 | 41 | 3.5921 | 1.1459 | -2.5307 | 1.558 | -2.2863 | 4.9271 | 0.1155 | -0.4664 | -0.0158 | 0.0914 | -0.3066 | -0.0554 | 0.046 | 0.7285 | 0.1911 | -0.0662 | -0.0125 | -0.0153 | 0.0233 | -0.0021 | -0.0073 | -0.974 | 37.078 | 1.534 | 42 | 0.8809 | 1.4766 | -0.6606 | 7.9506 | -0.6076 | 0.693 | -0.0029 | -0.084 | -0.0397 | -0.0461 | 0.0795 | -0.2795 | -0.0771 | 0.1815 | -0.0766 | -0.0503 | -0.0249 | -0.003 | 0.0118 | -0.0017 | -0.0011 | -0.031 | 46.189 | -7.158 | 43 | 3.8039 | 0.146 | -4.1702 | 0.4124 | -0.8476 | 6.4397 | 0.058 | -0.0069 | -0.0032 | 0.1023 | -0.0084 | 0.0227 | 0.1636 | -0.0178 | -0.0497 | -0.0182 | -0.0599 | -0.0016 | -0.0217 | -0.0075 | -0.0163 | -12.914 | 33.498 | 8.784 | 44 | 28.2774 | 14.7402 | 3.723 | 18.1055 | 2.0737 | 3.4036 | 0.7045 | -0.3942 | -1.2218 | 0.5685 | -0.3698 | -0.9729 | 0.5277 | 0.2658 | -0.3347 | 0.0063 | -0.0085 | -0.0517 | -0.0637 | 0.0227 | -0.0219 | -9.735 | 28.733 | 14.514 | 45 | 4.0824 | 0.9215 | -1.5319 | 0.6256 | -0.9524 | 3.8359 | -0.0656 | -0.1194 | 0.1297 | 0.1779 | -0.0533 | -0.0497 | -0.1063 | 0.3218 | 0.1189 | -0.0127 | -0.0028 | -0.0294 | -0.0058 | 0.042 | -0.0353 | 23.325 | 69.904 | 22.3 | 46 | 3.6811 | 1.3074 | -3.1017 | 3.7023 | -0.3484 | 8.0688 | 0.0851 | -0.2704 | 0.4212 | 0.1467 | -0.0014 | -0.1725 | -0.7861 | 0.4151 | -0.0836 | 0.0646 | -0.0668 | -0.0496 | -0.026 | -0.008 | -0.0097 | 25.055 | 77.122 | 26.404 | 47 | 4.0268 | -2.5182 | 0.3419 | 5.5398 | -1.033 | 2.6493 | -0.0723 | -0.3598 | 0.198 | 0.3418 | 0.0301 | -0.0339 | -0.3049 | 0.1411 | 0.0423 | 0.0124 | -0.0265 | -0.036 | -0.0143 | -0.0075 | -0.0983 | 21.691 | 70.222 | 34.666 | 48 | 2.2531 | 3.7358 | 3.8318 | 15.6105 | 7.5629 | 9.9807 | 0.0156 | 0.1997 | -0.1791 | 0.3649 | 0.4548 | -1.3131 | 0.3231 | 1.6601 | -0.4704 | -0.0813 | 0.0798 | -0.0367 | 0.2793 | 0.0536 | 0.0396 | 37.374 | 61.405 | 26.998 | 49 | 4.4982 | -1.9674 | -2.5246 | 4.2322 | 1.445 | 5.1767 | -0.0537 | -0.3137 | 0.29 | 0.3357 | -0.1626 | -0.2642 | -0.2418 | 0.5622 | 0.2163 | -0.0006 | -0.0852 | -0.0958 | 0.0489 | 0.0065 | -0.0741 | 30.388 | 73.043 | 33.182 | 50 | 4.2272 | -3.3431 | -0.7467 | 13.2071 | 6.6142 | 7.863 | -0.2081 | -0.2308 | -0.1935 | 0.7713 | 0.163 | -0.2262 | 0.7612 | 0.7257 | 0.0452 | -0.0012 | 0.0445 | -0.0486 | 0.0627 | 0.0863 | -0.1085 | 31.504 | 57.717 | 34.309 | 51 | 11.4716 | -2.2442 | -2.2787 | 3.3709 | 0.5449 | 8.3808 | 0.0098 | -0.1047 | -0.3442 | 0.3057 | -0.2336 | -0.0697 | 0.1954 | 0.0674 | 0.2237 | 0.0082 | -0.0304 | -0.02 | 0.0239 | 0.0589 | -0.0811 | 23.936 | 57.618 | 40.668 | 52 | 1.0294 | -0.0757 | -0.4605 | 1.4765 | 0.9586 | 4.1334 | -0.052 | -0.1198 | 0.0441 | 0.0564 | -0.0421 | -0.1425 | 0.1444 | 0.4068 | 0.094 | -0.0129 | 0.0313 | -0.0138 | 0.0235 | 0.0575 | -0.0702 | 26.615 | 61.484 | 25.801 | 53 | 6.7539 | 0.6173 | -8.3546 | 1.9274 | -2.8301 | 12.6172 | -0.0639 | -0.2172 | -0.2065 | 0.0193 | -0.038 | -0.1449 | 0.52 | 0.2574 | 0.1019 | 0.092 | 0.068 | -0.0059 | -0.0241 | 0.0552 | -0.0804 | 26.419 | 51.502 | 27.587 | 54 | 4.5816 | -2.5498 | 1.5277 | 5.0781 | -2.3148 | 5.4301 | 0.1549 | -0.3838 | -0.3155 | -0.1538 | 0.0096 | 0.214 | 0.2597 | -0.1831 | -0.1645 | 0.0022 | -0.0297 | -0.0073 | 0.0119 | 0.0541 | -0.0573 | 14.671 | 57.749 | 32.847 | 55 | 0.7257 | 0.0072 | 1.2314 | 1.4743 | 1.4544 | 3.5002 | -0.0415 | -0.078 | -0.0396 | 0.1427 | -0.0742 | -0.1011 | 0.304 | 0.238 | 0.1157 | 0.0151 | 0.0279 | 0.0069 | -0.0095 | 0.0544 | -0.0413 | 22.988 | 62.565 | 22.15 | 56 | 1.3528 | -0.1295 | -0.8687 | 0.0978 | -0.3686 | 4.0349 | -0.0256 | -0.1003 | -0.0722 | 0.0643 | -0.0421 | -0.0267 | 0.4587 | 0.4605 | 0.0677 | 0.0524 | 0.0506 | 0.0055 | -0.0489 | 0.0455 | -0.0309 | 24.208 | 55.71 | 8.917 | 57 | 0.8331 | 0.0151 | -0.5519 | 0.0248 | -0.4217 | 7.2714 | 0.0294 | 0.0134 | -0.0417 | 0.1307 | -0.0076 | 0.092 | 0.5578 | 0.3753 | -0.0218 | 0.0857 | 0.0682 | 0.0223 | -0.0415 | 0.0451 | -0.0263 | 23.558 | 52.709 | 3.157 | 58 | 0.9406 | 0.0813 | 0.6858 | 1.194 | 0.244 | 2.6234 | -0.0093 | -0.1102 | -0.0158 | 0.1757 | -0.0055 | -0.0026 | 0.2687 | 0.0108 | 0.0148 | 0.0168 | 0.0263 | 0.0267 | -0.0333 | 0.0536 | -0.0298 | 18.472 | 59.317 | 16.584 | 59 | 0.995 | 0.0679 | -0.6361 | 2.9637 | 0.4818 | 4.1038 | -0.0676 | -0.0503 | 0.0019 | 0.0123 | 0.0261 | -0.059 | 0.0276 | 0.3006 | 0.0416 | -0.0237 | 0.0237 | 0.0104 | -0.0059 | 0.0466 | -0.0272 | 25.207 | 63.673 | 5.514 | 60 | 3.2324 | 0.8751 | -1.112 | 1.6244 | 1.3824 | 3.0074 | -0.1766 | -0.0166 | -0.1639 | 0.2893 | -0.1205 | 0.0595 | 0.5632 | -0.1222 | 0.297 | 0.0697 | -0.0283 | 0.0273 | -0.0423 | 0.0426 | -0.0162 | 14.309 | 56.481 | 8.042 | 61 | 2.0319 | 1.1489 | -1.0284 | 1.581 | -1.4163 | 2.9867 | 0.0122 | -0.1786 | 0.064 | 0.0938 | -0.0446 | -0.0224 | -0.0853 | 0.0508 | 0.0324 | -0.02 | 0.0036 | -0.0177 | -0.0216 | 0.0291 | -0.0271 | 16.57 | 69.358 | 19.255 | 62 | 2.8581 | 1.5551 | -0.4167 | 1.8926 | -0.4447 | 2.0609 | 0.0993 | -0.1609 | 0.1262 | 0.1444 | -0.0626 | 0.026 | -0.1732 | 0.1122 | -0.0367 | -0.0052 | -0.0051 | -0.0187 | -0.0422 | 0.033 | -0.0052 | 16.334 | 73.283 | 15.451 | 63 | 1.1773 | -0.2523 | -0.0667 | 6.1566 | 4.5695 | 4.174 | 0.0469 | -0.0771 | -0.0572 | 0.6849 | -0.3522 | 0.1817 | 0.6773 | -0.3963 | 0.3053 | 0.0199 | -0.0625 | 0.0296 | -0.0427 | 0.0274 | -0.0136 | 9.363 | 58.185 | 1.87 | 64 | 7.653 | -5.3413 | 0.6852 | 5.8938 | 0.6595 | 1.9434 | 0.0947 | -0.0937 | -0.2709 | 0.0721 | -0.0406 | 0.1945 | 0.4541 | 0.0977 | -0.0542 | 0.0554 | 0.0221 | 0.0052 | -0.0609 | 0.0388 | -0.0193 | 17.37 | 51.444 | -5.198 | 65 | 0.5238 | 0.97 | 0.4329 | 4.7454 | 4.1271 | 4.8925 | 0.0016 | -0.0196 | 0.0074 | 0.0192 | -0.0853 | -0.0074 | -0.0632 | -0.1878 | 0.0837 | -0.0086 | 0.0055 | -0.0185 | -0.044 | 0.0251 | -0.0091 | 11.685 | 71.158 | 7.3 | 66 | 4.629 | 1.9103 | 0.2114 | 26.9584 | -8.2638 | 2.7251 | -0.0911 | -0.0305 | 0.083 | 0.8422 | 0.3321 | 1.059 | -0.1397 | -0.3728 | -0.241 | -0.0318 | 0.0091 | 0.0317 | -0.0132 | 0.0124 | -0.0027 | 5.279 | 71.471 | 13.039 |
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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 | A7 - 18 | 2 | X-RAY DIFFRACTION | 2 | A19 - 30 | 3 | X-RAY DIFFRACTION | 3 | A31 - 42 | 4 | X-RAY DIFFRACTION | 4 | A43 - 54 | 5 | X-RAY DIFFRACTION | 5 | A55 - 66 | 6 | X-RAY DIFFRACTION | 6 | A67 - 78 | 7 | X-RAY DIFFRACTION | 7 | A79 - 90 | 8 | X-RAY DIFFRACTION | 8 | A91 - 102 | 9 | X-RAY DIFFRACTION | 9 | A103 - 114 | 10 | X-RAY DIFFRACTION | 10 | A115 - 126 | 11 | X-RAY DIFFRACTION | 11 | A127 - 138 | 12 | X-RAY DIFFRACTION | 12 | A139 - 150 | 13 | X-RAY DIFFRACTION | 13 | A151 - 162 | 14 | X-RAY DIFFRACTION | 14 | A163 - 174 | 15 | X-RAY DIFFRACTION | 15 | A175 - 186 | 16 | X-RAY DIFFRACTION | 16 | A187 - 198 | 17 | X-RAY DIFFRACTION | 17 | A199 - 210 | 18 | X-RAY DIFFRACTION | 18 | A211 - 222 | 19 | X-RAY DIFFRACTION | 19 | A223 - 234 | 20 | X-RAY DIFFRACTION | 20 | A235 - 246 | 21 | X-RAY DIFFRACTION | 21 | A247 - 258 | 22 | X-RAY DIFFRACTION | 22 | A259 - 269 | 23 | X-RAY DIFFRACTION | 23 | B7 - 18 | 24 | X-RAY DIFFRACTION | 24 | B19 - 30 | 25 | X-RAY DIFFRACTION | 25 | B31 - 42 | 26 | X-RAY DIFFRACTION | 26 | B43 - 54 | 27 | X-RAY DIFFRACTION | 27 | B55 - 66 | 28 | X-RAY DIFFRACTION | 28 | B67 - 78 | 29 | X-RAY DIFFRACTION | 29 | B79 - 90 | 30 | X-RAY DIFFRACTION | 30 | B91 - 102 | 31 | X-RAY DIFFRACTION | 31 | B103 - 114 | 32 | X-RAY DIFFRACTION | 32 | B115 - 126 | 33 | X-RAY DIFFRACTION | 33 | B127 - 138 | 34 | X-RAY DIFFRACTION | 34 | B139 - 150 | 35 | X-RAY DIFFRACTION | 35 | B151 - 162 | 36 | X-RAY DIFFRACTION | 36 | B163 - 174 | 37 | X-RAY DIFFRACTION | 37 | B175 - 186 | 38 | X-RAY DIFFRACTION | 38 | B187 - 198 | 39 | X-RAY DIFFRACTION | 39 | B199 - 210 | 40 | X-RAY DIFFRACTION | 40 | B211 - 222 | 41 | X-RAY DIFFRACTION | 41 | B223 - 234 | 42 | X-RAY DIFFRACTION | 42 | B235 - 246 | 43 | X-RAY DIFFRACTION | 43 | B247 - 258 | 44 | X-RAY DIFFRACTION | 44 | B259 - 269 | 45 | X-RAY DIFFRACTION | 45 | C7 - 18 | 46 | X-RAY DIFFRACTION | 46 | C19 - 30 | 47 | X-RAY DIFFRACTION | 47 | C31 - 42 | 48 | X-RAY DIFFRACTION | 48 | C43 - 54 | 49 | X-RAY DIFFRACTION | 49 | C55 - 66 | 50 | X-RAY DIFFRACTION | 50 | C67 - 76 | 51 | X-RAY DIFFRACTION | 51 | C83 - 90 | 52 | X-RAY DIFFRACTION | 52 | C91 - 102 | 53 | X-RAY DIFFRACTION | 53 | C103 - 114 | 54 | X-RAY DIFFRACTION | 54 | C115 - 126 | 55 | X-RAY DIFFRACTION | 55 | C127 - 138 | 56 | X-RAY DIFFRACTION | 56 | C139 - 150 | 57 | X-RAY DIFFRACTION | 57 | C151 - 162 | 58 | X-RAY DIFFRACTION | 58 | C163 - 174 | 59 | X-RAY DIFFRACTION | 59 | C175 - 186 | 60 | X-RAY DIFFRACTION | 60 | C187 - 198 | 61 | X-RAY DIFFRACTION | 61 | C199 - 210 | 62 | X-RAY DIFFRACTION | 62 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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