構造決定の手法: 分子置換 開始モデル: inhouse model 解像度: 1.09→43.67 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.972 / SU B: 1.193 / SU ML: 0.025 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.032 / ESU R Free: 0.032 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: different binding mode with carboxylate in opposite direction compared to majority of ligands. butyric acid part not well ordered, two conformations modeled, might be removed entirely?
Rfactor
反射数
%反射
Selection details
Rfree
0.1762
2723
5.1 %
RANDOM
Rwork
0.1533
-
-
-
obs
0.1545
50593
96.16 %
-
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