構造決定の手法: 分子置換 開始モデル: inhouse model 解像度: 1.28→42.72 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.948 / SU B: 2.617 / SU ML: 0.047 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.06 / ESU R Free: 0.065 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: both, fatty acid and ligand are bound, engaging in vdW interactions fatty acid changes conformation compared to horse-shoe when small molecule is absent
Rfactor
反射数
%反射
Selection details
Rfree
0.2417
1609
5.2 %
RANDOM
Rwork
0.1763
-
-
-
obs
0.1796
29616
95.84 %
-
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