解像度: 1.6→29.59 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.964 / WRfactor Rfree: 0.1679 / WRfactor Rwork: 0.1497 / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.9132 / SU B: 2.276 / SU ML: 0.041 / SU R Cruickshank DPI: 0.0621 / SU Rfree: 0.0623 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.062 / ESU R Free: 0.062 / 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: WITH TLS ADDED
Rfactor
反射数
%反射
Selection details
Rfree
0.1732
1771
3 %
RANDOM
Rwork
0.1545
-
-
-
all
0.1551
58211
-
-
obs
0.1551
58211
99.93 %
-
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: MASK