構造決定の手法: 分子置換 開始モデル: inhouse model 解像度: 1.05→37.1 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.975 / SU B: 0.919 / SU ML: 0.02 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.026 / ESU R Free: 0.027 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: single bromine atom sufficient for SAD phasing using 0.9A wavelength. bromine partially radiolysed or not properly accounted f" during refinement carboxylate group more flexible than rest of ...詳細: single bromine atom sufficient for SAD phasing using 0.9A wavelength. bromine partially radiolysed or not properly accounted f" during refinement carboxylate group more flexible than rest of ligand. several water molecules in alternate conformations, DMSO molecule in binding site comes from ligand soaking.
Rfactor
反射数
%反射
Selection details
Rfree
0.1656
3048
5.1 %
RANDOM
Rwork
0.1446
-
-
-
obs
0.1457
57278
96.76 %
-
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