解像度: 1.8→18.63 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.946 / WRfactor Rfree: 0.2105 / WRfactor Rwork: 0.1802 / FOM work R set: 0.8824 / SU B: 4.226 / SU ML: 0.069 / SU R Cruickshank DPI: 0.1222 / SU Rfree: 0.1147 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.122 / ESU R Free: 0.115 / 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
0.2054
1191
5.1 %
RANDOM
Rwork
0.1751
22333
-
-
obs
0.1767
23524
94.81 %
-
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