構造決定の手法: 分子置換 開始モデル: inhouse model 解像度: 1.08→37.59 Å / Cor.coef. Fo:Fc: 0.978 / Cor.coef. Fo:Fc free: 0.969 / SU B: 1.249 / SU ML: 0.026 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.032 / ESU R Free: 0.034 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: low occupancy alternate conformation of ester group not modeled close contact of cyclohexyl ring with one of the Cys-alternate conformations ligand may loose binding energy due to this ...詳細: low occupancy alternate conformation of ester group not modeled close contact of cyclohexyl ring with one of the Cys-alternate conformations ligand may loose binding energy due to this contact two hydrogen bonds formed by carboxamide group
Rfactor
反射数
%反射
Selection details
Rfree
0.1883
2833
5.2 %
RANDOM
Rwork
0.1544
-
-
-
obs
0.1562
51971
95.99 %
-
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: BABINET MODEL WITH MASK