解像度: 1.55→20 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.949 / SU B: 3.021 / SU ML: 0.102 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: Isotropic / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.113 / ESU R Free: 0.103 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE STRUCTURE WAS REFINED ALSO WITH CNS 1.0.
Rfactor
反射数
%反射
Selection details
Rfree
0.25096
2165
5.1 %
RANDOM
Rwork
0.23492
-
-
-
all
0.23574
41944
-
-
obs
0.23574
40560
96.69 %
-
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