解像度: 1.8→42.27 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.945 / WRfactor Rfree: 0.2042 / WRfactor Rwork: 0.169 / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.8651 / SU B: 5.675 / SU ML: 0.083 / SU R Cruickshank DPI: 0.1476 / SU Rfree: 0.1327 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.148 / ESU R Free: 0.133 / 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
0.2128
829
5 %
RANDOM
Rwork
0.1762
-
-
-
obs
0.178
16511
94.29 %
-
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