解像度: 2.17→19.79 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.931 / WRfactor Rfree: 0.2373 / WRfactor Rwork: 0.2085 / Occupancy max: 1 / Occupancy min: 0.3 / FOM work R set: 0.856 / SU B: 9.696 / SU ML: 0.115 / SU R Cruickshank DPI: 0.2 / SU Rfree: 0.1687 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.2 / ESU R Free: 0.169 / 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
0.2271
1516
4.9 %
RANDOM
Rwork
0.1993
-
-
-
obs
0.2006
31226
99.57 %
-
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: MASK