ソフトウェア | 名称 | バージョン | 分類 |
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REFMAC | 5.8.0222精密化 | d*TREK | | データ削減 | d*TREK | | データスケーリング | MOLREP | | 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: 4ASM 解像度: 1.63→34.34 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.963 / SU B: 1.377 / SU ML: 0.046 / 交差検証法: THROUGHOUT / ESU R: 0.074 / ESU R Free: 0.075
| Rfactor | 反射数 | %反射 | Selection details |
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Rfree | 0.19777 | 3104 | 5 % | RANDOM |
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Rwork | 0.17358 | - | - | - |
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obs | 0.17481 | 58945 | 98.82 % | - |
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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 |
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原子変位パラメータ | Biso mean: 25.056 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | 0.29 Å2 | -0 Å2 | -0 Å2 |
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2- | - | 0.29 Å2 | -0 Å2 |
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3- | - | - | -0.58 Å2 |
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精密化ステップ | サイクル: 1 / 解像度: 1.63→34.34 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 2679 | 0 | 1 | 356 | 3036 |
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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_d0.015 | 0.014 | 2779 | X-RAY DIFFRACTION | r_bond_other_d0.001 | 0.017 | 2288 | X-RAY DIFFRACTION | r_angle_refined_deg1.846 | 1.735 | 3791 | X-RAY DIFFRACTION | r_angle_other_deg0.64 | 1.715 | 5365 | X-RAY DIFFRACTION | r_dihedral_angle_1_deg7.365 | 5 | 333 | X-RAY DIFFRACTION | r_dihedral_angle_2_deg33.017 | 21 | 120 | X-RAY DIFFRACTION | r_dihedral_angle_3_deg12.194 | 15 | 353 | X-RAY DIFFRACTION | r_dihedral_angle_4_deg17.119 | 15 | 12 | X-RAY DIFFRACTION | r_chiral_restr0.1 | 0.2 | 338 | X-RAY DIFFRACTION | r_gen_planes_refined0.012 | 0.021 | 3205 | X-RAY DIFFRACTION | r_gen_planes_other0.001 | 0.02 | 576 | X-RAY DIFFRACTION | r_nbd_refined | | | X-RAY DIFFRACTION | r_nbd_other | | | X-RAY DIFFRACTION | r_nbtor_refined | | | X-RAY DIFFRACTION | r_nbtor_other | | | X-RAY DIFFRACTION | r_xyhbond_nbd_refined | | | 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_refined | | | X-RAY DIFFRACTION | r_symmetry_vdw_other | | | X-RAY DIFFRACTION | r_symmetry_hbond_refined | | | 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_it2.182 | 2.306 | 1323 | X-RAY DIFFRACTION | r_mcbond_other2.182 | 2.307 | 1324 | X-RAY DIFFRACTION | r_mcangle_it3.01 | 3.451 | 1653 | X-RAY DIFFRACTION | r_mcangle_other3.013 | 3.451 | 1654 | X-RAY DIFFRACTION | r_scbond_it3.337 | 2.633 | 1456 | X-RAY DIFFRACTION | r_scbond_other3.336 | 2.633 | 1457 | X-RAY DIFFRACTION | r_scangle_it | | | X-RAY DIFFRACTION | r_scangle_other4.804 | 3.818 | 2137 | X-RAY DIFFRACTION | r_long_range_B_refined5.962 | 29.234 | 3234 | X-RAY DIFFRACTION | r_long_range_B_other5.81 | 28.538 | 3153 | X-RAY DIFFRACTION | r_rigid_bond_restr | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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