構造決定の手法: 分子置換 開始モデル: inhouse model 解像度: 1.03→37.56 Å / Cor.coef. Fo:Fc: 0.979 / Cor.coef. Fo:Fc free: 0.967 / SU B: 0.94 / SU ML: 0.021 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.026 / ESU R Free: 0.029 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: radiation damage to chlorine, rather flexible head group. C-atom at head group carrying acidic thiol might have undergone chemical modification, e.g. hydroxylation - not built
Rfactor
反射数
%反射
Selection details
Rfree
0.1819
3217
5 %
RANDOM
Rwork
0.1459
-
-
-
obs
0.1478
60497
96.48 %
-
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