構造決定の手法: 分子置換 開始モデル: inhouse model 解像度: 1.24→37.24 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.965 / SU B: 1.296 / SU ML: 0.026 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.046 / ESU R Free: 0.045 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: several protein residues change conformation, range 53-57 is mobile look at B-values when comparing this structure to others. 3-Chloro-2-methyl-phenoxymethyl moiety rather flexible phenyl- ...詳細: several protein residues change conformation, range 53-57 is mobile look at B-values when comparing this structure to others. 3-Chloro-2-methyl-phenoxymethyl moiety rather flexible phenyl-triazolopyrimidine very well defined
Rfactor
反射数
%反射
Selection details
Rfree
0.182
1888
5.1 %
RANDOM
Rwork
0.151
-
-
-
obs
0.1526
34880
97.15 %
-
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