ソフトウェア 名称 バージョン 分類 REFMAC5.8.0135精密化 XDSデータ削減 Aimlessデータスケーリング MOLREP位相決定
精密化 構造決定の手法 : 分子置換開始モデル : 2x42解像度 : 1.83→95.31 Å / Cor.coef. Fo :Fc : 0.964 / Cor.coef. Fo :Fc free : 0.955 / SU B : 2.318 / SU ML : 0.07 / 交差検証法 : THROUGHOUT / ESU R : 0.106 / ESU R Free : 0.098 / 詳細 : HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONSRfactor 反射数 %反射 Selection details Rfree 0.17854 4317 5.1 % RANDOM Rwork 0.15676 - - - obs 0.15789 80259 98.78 % -
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原子変位パラメータ Biso mean : 20.032 Å2 Baniso -1 Baniso -2 Baniso -3 1- 0.3 Å2 0 Å2 0 Å2 2- - -0.62 Å2 0 Å2 3- - - 0.32 Å2
精密化ステップ サイクル : 1 / 解像度 : 1.83→95.31 Åタンパク質 核酸 リガンド 溶媒 全体 原子数 6142 0 54 674 6870
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_d0.007 0.019 6310 X-RAY DIFFRACTION r_bond_other_d0.001 0.02 5901 X-RAY DIFFRACTION r_angle_refined_deg1.209 1.962 8513 X-RAY DIFFRACTION r_angle_other_deg0.891 3 13615 X-RAY DIFFRACTION r_dihedral_angle_1_deg6.124 5 795 X-RAY DIFFRACTION r_dihedral_angle_2_deg36.972 24.845 291 X-RAY DIFFRACTION r_dihedral_angle_3_deg11.126 15 1082 X-RAY DIFFRACTION r_dihedral_angle_4_deg14.689 15 35 X-RAY DIFFRACTION r_chiral_restr0.074 0.2 937 X-RAY DIFFRACTION r_gen_planes_refined0.004 0.02 7195 X-RAY DIFFRACTION r_gen_planes_other0.001 0.02 1400 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_it0.843 1.861 3180 X-RAY DIFFRACTION r_mcbond_other0.839 1.859 3179 X-RAY DIFFRACTION r_mcangle_it1.426 2.786 3975 X-RAY DIFFRACTION r_mcangle_other1.426 2.787 3976 X-RAY DIFFRACTION r_scbond_it1.186 2.055 3130 X-RAY DIFFRACTION r_scbond_other1.185 2.055 3130 X-RAY DIFFRACTION r_scangle_itX-RAY DIFFRACTION r_scangle_other1.953 3.007 4539 X-RAY DIFFRACTION r_long_range_B_refined4.305 15.922 7602 X-RAY DIFFRACTION r_long_range_B_other3.892 15.365 7261 X-RAY DIFFRACTION r_rigid_bond_restr