解像度: 1.77→30 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.959 / SU B: 4.901 / SU ML: 0.07 / Isotropic thermal model: isotropic / 交差検証法: THROUGHOUT / ESU R: 0.115 / ESU R Free: 0.107 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.
Rfactor
反射数
%反射
Selection details
Rfree
0.185
2205
5 %
RANDOM
Rwork
0.154
-
-
-
obs
0.155
41524
99.4 %
-
all
-
41524
-
-
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