ソフトウェア 名称 バージョン 分類 REFMAC5.8.0238精密化 HKL-2000データ削減 HKL-2000データスケーリング PHASER位相決定
精密化 構造決定の手法 : 分子置換開始モデル : 5c8z解像度 : 2.09→35 Å / Cor.coef. Fo :Fc : 0.962 / Cor.coef. Fo :Fc free : 0.947 / SU B : 3.84 / SU ML : 0.099 / 交差検証法 : THROUGHOUT / ESU R : 0.15 / ESU R Free : 0.138 / 立体化学のターゲット値 : MAXIMUM LIKELIHOOD / 詳細 : HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONSRfactor 反射数 %反射 Selection details Rfree 0.20343 2360 5.1 % RANDOM Rwork 0.17059 - - - obs 0.17226 44256 99.86 % -
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原子変位パラメータ Biso mean : 27.92 Å2 Baniso -1 Baniso -2 Baniso -3 1- -1.6 Å2 -0 Å2 0 Å2 2- - 1.37 Å2 0 Å2 3- - - 0.23 Å2
精密化ステップ サイクル : 1 / 解像度 : 2.09→35 Åタンパク質 核酸 リガンド 溶媒 全体 原子数 4094 0 64 275 4433
拘束条件 大きな表を表示 (5 x 38) 大きな表を隠す Refine-ID タイプ Dev ideal Dev ideal target 数 X-RAY DIFFRACTION r_bond_refined_d0.011 0.013 4316 X-RAY DIFFRACTION r_bond_other_d0.001 0.017 3912 X-RAY DIFFRACTION r_angle_refined_deg1.575 1.654 5904 X-RAY DIFFRACTION r_angle_other_deg1.513 1.581 9096 X-RAY DIFFRACTION r_dihedral_angle_1_deg7.037 5 546 X-RAY DIFFRACTION r_dihedral_angle_2_deg33.747 22.872 195 X-RAY DIFFRACTION r_dihedral_angle_3_deg12.83 15 656 X-RAY DIFFRACTION r_dihedral_angle_4_deg12.025 15 20 X-RAY DIFFRACTION r_chiral_restr0.082 0.2 576 X-RAY DIFFRACTION r_gen_planes_refined0.009 0.02 4856 X-RAY DIFFRACTION r_gen_planes_other0.002 0.02 866 X-RAY DIFFRACTION r_nbd_refinedX-RAY DIFFRACTION r_nbd_otherX-RAY DIFFRACTION r_nbtor_refinedX-RAY DIFFRACTION r_nbtor_otherX-RAY DIFFRACTION r_xyhbond_nbd_refinedX-RAY DIFFRACTION r_xyhbond_nbd_otherX-RAY DIFFRACTION r_metal_ion_refinedX-RAY DIFFRACTION r_metal_ion_otherX-RAY DIFFRACTION r_symmetry_vdw_refinedX-RAY DIFFRACTION r_symmetry_vdw_otherX-RAY DIFFRACTION r_symmetry_hbond_refinedX-RAY DIFFRACTION r_symmetry_hbond_otherX-RAY DIFFRACTION r_symmetry_metal_ion_refinedX-RAY DIFFRACTION r_symmetry_metal_ion_otherX-RAY DIFFRACTION r_mcbond_it2.428 2.812 2172 X-RAY DIFFRACTION r_mcbond_other2.408 2.81 2171 X-RAY DIFFRACTION r_mcangle_it3.181 4.203 2722 X-RAY DIFFRACTION r_mcangle_other3.182 4.204 2723 X-RAY DIFFRACTION r_scbond_it3.485 3.133 2144 X-RAY DIFFRACTION r_scbond_other3.485 3.134 2145 X-RAY DIFFRACTION r_scangle_itX-RAY DIFFRACTION r_scangle_other5.01 4.561 3183 X-RAY DIFFRACTION r_long_range_B_refined6.088 33.995 4923 X-RAY DIFFRACTION r_long_range_B_other6.076 33.922 4900 X-RAY DIFFRACTION r_rigid_bond_restr