解像度: 2.9→47.82 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.886 / WRfactor Rfree: 0.2289 / WRfactor Rwork: 0.1733 / FOM work R set: 0.7541 / SU B: 11.965 / SU ML: 0.242 / SU Rfree: 0.0834 / 交差検証法: THROUGHOUT / σ(F): 0 / σ(I): -3 / ESU R Free: 0.083 / 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
0.2545
6285
4.8 %
RANDOM
Rwork
0.1939
-
-
-
obs
0.1968
129619
99.34 %
-
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