ソフトウェア 名称 バージョン 分類 REFMAC5.8.0069精密化 HKL-20001 データ削減 HKL-20001 データスケーリング PHASER1 位相決定
精密化 構造決定の手法 : 分子置換開始モデル : 1dns解像度 : 1.6→38.85 Å / Cor.coef. Fo :Fc : 0.969 / Cor.coef. Fo :Fc free : 0.954 / SU B : 1.93 / SU ML : 0.065 / 交差検証法 : THROUGHOUT / ESU R : 0.086 / ESU R Free : 0.083 / 詳細 : HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONSRfactor 反射数 %反射 Selection details Rfree 0.20811 307 5 % RANDOM Rwork 0.18848 - - - obs 0.18948 5882 97.36 % -
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 : 24.167 Å2 Baniso -1 Baniso -2 Baniso -3 1- 0 Å2 0 Å2 0 Å2 2- - 0 Å2 0 Å2 3- - - -0.01 Å2
精密化ステップ サイクル : 1 / 解像度 : 1.6→38.85 Åタンパク質 核酸 リガンド 溶媒 全体 原子数 0 322 0 25 347
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_d0.026 0.013 352 X-RAY DIFFRACTION r_bond_other_d0.002 0.02 174 X-RAY DIFFRACTION r_angle_refined_deg3.505 1.576 520 X-RAY DIFFRACTION r_angle_other_deg2.95 3 406 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_restr0.623 0.2 56 X-RAY DIFFRACTION r_gen_planes_refined0.024 0.02 184 X-RAY DIFFRACTION r_gen_planes_other0.003 0.02 76 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_it2.165 2.527 352 X-RAY DIFFRACTION r_scbond_other2.167 2.527 351 X-RAY DIFFRACTION r_scangle_itX-RAY DIFFRACTION r_scangle_other2.944 3.78 520 X-RAY DIFFRACTION r_long_range_B_refined3.603 25.908 527 X-RAY DIFFRACTION r_long_range_B_other3.53 25.822 516 X-RAY DIFFRACTION r_rigid_bond_restr