構造決定の手法: 分子置換 開始モデル: inhouse model 解像度: 1.03→37.74 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.953 / SU B: 1.053 / SU ML: 0.024 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.031 / ESU R Free: 0.033 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: two conformations of Arg binding to ligand. Ligand apparently deprotonated. furanone seems mobile and can shift in plane but only one conformation built
Rfactor
反射数
%反射
Selection details
Rfree
0.2055
3066
4.9 %
RANDOM
Rwork
0.1718
-
-
-
obs
0.1734
58881
93.56 %
-
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