ソフトウェア 名称 バージョン 分類 REFMAC5.8.0103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 : 3P4J解像度 : 1.45→24 Å / Cor.coef. Fo :Fc : 0.984 / 交差検証法 : FREE R-VALUE / ESU R : 0.078 / 詳細 : HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONSRfactor 反射数 %反射 Rfree 0.172 209 5 % Rwork 0.121 - - obs 0.121 4083 98.15 %
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 : 18.8 Å2 Baniso -1 Baniso -2 Baniso -3 1- -0.62 Å2 0 Å2 0 Å2 2- - -0.18 Å2 0 Å2 3- - - 0.8 Å2
精密化ステップ サイクル : 1 / 解像度 : 1.45→24 Åタンパク質 核酸 リガンド 溶媒 全体 原子数 0 240 11 34 285
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_d0.01 0.01 281 X-RAY DIFFRACTION r_bond_other_d0.001 0.02 156 X-RAY DIFFRACTION r_angle_refined_deg1.61 1.12 426 X-RAY DIFFRACTION r_angle_other_deg8.193 3 366 X-RAY DIFFRACTION r_dihedral_angle_1_degX-RAY DIFFRACTION r_dihedral_angle_2_degX-RAY DIFFRACTION r_dihedral_angle_3_degX-RAY DIFFRACTION r_dihedral_angle_4_degX-RAY DIFFRACTION r_chiral_restr0.092 0.2 36 X-RAY DIFFRACTION r_gen_planes_refined0.026 0.02 146 X-RAY DIFFRACTION r_gen_planes_other0.027 0.02 68 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_itX-RAY DIFFRACTION r_mcbond_otherX-RAY DIFFRACTION r_mcangle_itX-RAY DIFFRACTION r_mcangle_otherX-RAY DIFFRACTION r_scbond_it3.656 3.293 281 X-RAY DIFFRACTION r_scbond_other3.67 3.294 280 X-RAY DIFFRACTION r_scangle_itX-RAY DIFFRACTION r_scangle_other4.251 6.106 426 X-RAY DIFFRACTION r_long_range_B_refined3.476 14.693 393 X-RAY DIFFRACTION r_long_range_B_other3.386 14.356 381 X-RAY DIFFRACTION r_rigid_bond_restr