解像度: 0.83→11.37 Å / Cor.coef. Fo:Fc: 0.98 / Cor.coef. Fo:Fc free: 0.978 / WRfactor Rfree: 0.128 / WRfactor Rwork: 0.1197 / FOM work R set: 0.949 / SU B: 0.225 / SU ML: 0.007 / SU R Cruickshank DPI: 0.0119 / SU Rfree: 0.012 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.012 / ESU R Free: 0.012 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.1245
13247
5.1 %
RANDOM
Rwork
0.1169
-
-
-
obs
0.1173
248399
92.02 %
-
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