解像度: 1.45→30 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.956 / WRfactor Rfree: 0.1953 / WRfactor Rwork: 0.1635 / FOM work R set: 0.8686 / SU B: 1.28 / SU ML: 0.049 / SU R Cruickshank DPI: 0.0706 / SU Rfree: 0.0735 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.071 / ESU R Free: 0.074 / 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
0.2108
4075
5.1 %
RANDOM
Rwork
0.1785
76015
-
-
obs
0.1802
80090
99.14 %
-
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