解像度: 2.2→36.71 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.956 / WRfactor Rfree: 0.1966 / WRfactor Rwork: 0.166 / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.8492 / SU B: 9.886 / SU ML: 0.128 / SU R Cruickshank DPI: 0.2141 / SU Rfree: 0.1722 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.214 / ESU R Free: 0.172 / 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 : RESIDUAL ONLY
Rfactor
反射数
%反射
Selection details
Rfree
0.2046
8016
5 %
RANDOM
Rwork
0.1715
-
-
-
obs
0.1731
160372
94.79 %
-
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