解像度: 1.9→43.57 Å / Cor.coef. Fo:Fc: 0.937 / Cor.coef. Fo:Fc free: 0.904 / SU B: 10.656 / SU ML: 0.133 / 交差検証法: THROUGHOUT / ESU R: 0.181 / ESU R Free: 0.167 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED.
Rfactor
反射数
%反射
Selection details
Rfree
0.25432
17168
5 %
RANDOM
Rwork
0.20665
-
-
-
obs
0.20907
323582
93.54 %
-
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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK