ソフトウェア | 名称 | バージョン | 分類 |
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PHENIX | (1.10.1_2155: ???)精密化 | XDS | | データ削減 | Aimless | | データスケーリング | PHASER | | 位相決定 | |
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精密化 | 構造決定の手法: 分子置換 開始モデル: 2vx6 解像度: 1.5→48.839 Å / SU ML: 0.14 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 18.63
| Rfactor | 反射数 | %反射 |
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Rfree | 0.1906 | 6753 | 5.09 % |
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Rwork | 0.1637 | - | - |
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obs | 0.165 | 132735 | 99.48 % |
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溶媒の処理 | 減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å |
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精密化ステップ | サイクル: LAST / 解像度: 1.5→48.839 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 6039 | 0 | 16 | 842 | 6897 |
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拘束条件 | Refine-ID | タイプ | Dev ideal | 数 |
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X-RAY DIFFRACTION | f_bond_d0.01 | 6227 | X-RAY DIFFRACTION | f_angle_d1.066 | 8451 | X-RAY DIFFRACTION | f_dihedral_angle_d16.807 | 2211 | X-RAY DIFFRACTION | f_chiral_restr0.096 | 869 | X-RAY DIFFRACTION | f_plane_restr0.007 | 1119 | | | | | |
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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 (%) |
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1.4986-1.5156 | 0.2652 | 184 | 0.249 | 3829 | X-RAY DIFFRACTION | 90 | 1.5156-1.5334 | 0.2331 | 224 | 0.2135 | 4128 | X-RAY DIFFRACTION | 99 | 1.5334-1.5521 | 0.2312 | 244 | 0.2106 | 4223 | X-RAY DIFFRACTION | 100 | 1.5521-1.5718 | 0.2294 | 201 | 0.1934 | 4134 | X-RAY DIFFRACTION | 100 | 1.5718-1.5925 | 0.2176 | 226 | 0.1963 | 4256 | X-RAY DIFFRACTION | 100 | 1.5925-1.6143 | 0.2236 | 224 | 0.1905 | 4116 | X-RAY DIFFRACTION | 100 | 1.6143-1.6373 | 0.2226 | 203 | 0.1911 | 4242 | X-RAY DIFFRACTION | 100 | 1.6373-1.6618 | 0.2404 | 210 | 0.1841 | 4170 | X-RAY DIFFRACTION | 100 | 1.6618-1.6878 | 0.2183 | 260 | 0.1793 | 4163 | X-RAY DIFFRACTION | 100 | 1.6878-1.7154 | 0.1884 | 225 | 0.1736 | 4172 | X-RAY DIFFRACTION | 100 | 1.7154-1.745 | 0.2187 | 236 | 0.1752 | 4261 | X-RAY DIFFRACTION | 100 | 1.745-1.7767 | 0.2151 | 239 | 0.1747 | 4154 | X-RAY DIFFRACTION | 100 | 1.7767-1.8109 | 0.2115 | 226 | 0.1791 | 4197 | X-RAY DIFFRACTION | 100 | 1.8109-1.8479 | 0.2138 | 224 | 0.1711 | 4186 | X-RAY DIFFRACTION | 100 | 1.8479-1.8881 | 0.1972 | 219 | 0.1584 | 4213 | X-RAY DIFFRACTION | 100 | 1.8881-1.932 | 0.1842 | 230 | 0.1486 | 4222 | X-RAY DIFFRACTION | 100 | 1.932-1.9803 | 0.1547 | 251 | 0.1541 | 4173 | X-RAY DIFFRACTION | 100 | 1.9803-2.0338 | 0.2044 | 201 | 0.1583 | 4221 | X-RAY DIFFRACTION | 100 | 2.0338-2.0937 | 0.1782 | 211 | 0.1501 | 4237 | X-RAY DIFFRACTION | 100 | 2.0937-2.1613 | 0.2018 | 207 | 0.1542 | 4262 | X-RAY DIFFRACTION | 100 | 2.1613-2.2385 | 0.1753 | 236 | 0.1551 | 4200 | X-RAY DIFFRACTION | 100 | 2.2385-2.3281 | 0.182 | 219 | 0.1541 | 4244 | X-RAY DIFFRACTION | 100 | 2.3281-2.4341 | 0.2081 | 220 | 0.162 | 4194 | X-RAY DIFFRACTION | 100 | 2.4341-2.5624 | 0.1857 | 233 | 0.1643 | 4202 | X-RAY DIFFRACTION | 100 | 2.5624-2.723 | 0.186 | 230 | 0.1617 | 4226 | X-RAY DIFFRACTION | 100 | 2.723-2.9332 | 0.1956 | 252 | 0.1647 | 4239 | X-RAY DIFFRACTION | 100 | 2.9332-3.2283 | 0.1608 | 237 | 0.1604 | 4200 | X-RAY DIFFRACTION | 100 | 3.2283-3.6953 | 0.171 | 226 | 0.151 | 4261 | X-RAY DIFFRACTION | 100 | 3.6953-4.6551 | 0.16 | 228 | 0.1432 | 4304 | X-RAY DIFFRACTION | 100 | 4.6551-48.8648 | 0.2119 | 227 | 0.1731 | 4353 | X-RAY DIFFRACTION | 100 |
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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 | 2.4467 | -0.8253 | -0.1971 | 0.5178 | 0.5165 | 1.4017 | 0.015 | 0.2318 | 0.3944 | -0.3485 | -0.025 | 0.2955 | -0.3156 | -0.169 | -0.0457 | 0.1582 | 0.0355 | -0.0794 | 0.1146 | 0.0237 | 0.2062 | 49.4515 | 58.0802 | 54.3428 | 2 | 0.5274 | 0.33 | -0.2907 | 0.9006 | -0.1668 | 1.0077 | -0.0361 | -0.0203 | -0.0571 | -0.0034 | 0.049 | -0.1418 | -0.0076 | 0.0883 | -0.0157 | 0.0436 | -0.0012 | -0.0191 | 0.0842 | -0.0046 | 0.1152 | 68.0716 | 42.9696 | 65.8031 | 3 | 0.7339 | 0.2459 | 0.099 | 1.0378 | -0.0332 | 0.7206 | 0.0134 | 0.0285 | -0.0811 | -0.0266 | -0.0062 | 0.0687 | 0.077 | -0.0689 | -0.0069 | 0.041 | -0.0093 | -0.0152 | 0.0854 | -0.0005 | 0.1127 | 53.5005 | 35.2178 | 60.4999 | 4 | 0.9922 | 0.1738 | 0.3379 | 1.0382 | 0.3796 | 0.9643 | -0.041 | 0.173 | -0.0215 | -0.2124 | 0.0959 | -0.1076 | -0.1179 | 0.1258 | -0.0267 | 0.1072 | -0.029 | 0.0132 | 0.1222 | -0.0046 | 0.0926 | 67.0866 | 46.5494 | 48.8435 | 5 | 2.6344 | 0.2631 | 0.0821 | 1.3976 | 0.1384 | 1.725 | 0.0049 | -0.1329 | -0.1589 | 0.1251 | -0.0056 | 0.0451 | 0.1929 | -0.0244 | 0.0064 | 0.1305 | -0.0008 | 0.0201 | 0.0585 | -0.0106 | 0.0607 | 62.9025 | 15.5337 | 15.6043 | 6 | 0.6437 | -0.3499 | 0.0042 | 1.5793 | -0.6437 | 1.5356 | 0.0101 | 0.0071 | 0.0364 | -0.0404 | 0.0603 | -0.0357 | -0.0458 | 0.0758 | -0.0398 | 0.0731 | -0.0225 | 0.0084 | 0.0859 | -0.0274 | 0.0757 | 71.2332 | 28.3168 | 5.9917 | 7 | 0.0755 | 0.6664 | -0.2781 | 9.8679 | -3.8496 | 2.2163 | 0.0344 | 0.06 | 0.0167 | -0.2511 | -0.0997 | -0.1853 | 0.0603 | 0.1073 | 0.0697 | 0.1157 | -0.007 | 0.0208 | 0.1096 | -0.0046 | 0.0923 | 69.9372 | 25.3157 | 0.9077 | 8 | 0.7714 | -0.1622 | -0.0435 | 0.8532 | 0.1971 | 1.3776 | 0.0284 | -0.0785 | 0.1098 | 0.097 | -0.017 | 0.0547 | -0.1108 | -0.0758 | 0.0023 | 0.0924 | -0.0067 | 0.0194 | 0.0871 | -0.0182 | 0.0893 | 57.8091 | 32.6632 | 17.5831 | 9 | 1.2876 | -0.417 | -0.1914 | 1.0226 | 0.4108 | 1.8771 | -0.0357 | -0.1978 | 0.0437 | 0.1925 | 0.1123 | -0.2165 | 0.1011 | 0.3246 | -0.0231 | 0.139 | 0.0062 | -0.0244 | 0.1722 | -0.0253 | 0.106 | 74.4927 | 20.43 | 23.0101 |
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精密化 TLSグループ | ID | Refine-ID | Refine TLS-ID | Selection details |
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1 | X-RAY DIFFRACTION | 1 | chain 'A' and (resid 47 through 81 )2 | X-RAY DIFFRACTION | 2 | chain 'A' and (resid 82 through 134 )3 | X-RAY DIFFRACTION | 3 | chain 'A' and (resid 135 through 280 )4 | X-RAY DIFFRACTION | 4 | chain 'A' and (resid 281 through 420 )5 | X-RAY DIFFRACTION | 5 | chain 'B' and (resid 47 through 103 )6 | X-RAY DIFFRACTION | 6 | chain 'B' and (resid 104 through 134 )7 | X-RAY DIFFRACTION | 7 | chain 'B' and (resid 135 through 153 )8 | X-RAY DIFFRACTION | 8 | chain 'B' and (resid 154 through 330 )9 | X-RAY DIFFRACTION | 9 | chain 'B' and (resid 331 through 420 ) | | | | | | | | |
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