解像度: 1.1→28.8 Å / Cor.coef. Fo:Fc: 0.989 / Cor.coef. Fo:Fc free: 0.985 / SU B: 0.639 / SU ML: 0.013 Isotropic thermal model: Anisotropic Refinement of Temperature Factors 交差検証法: THROUGHOUT / ESU R: 0.005 / ESU R Free: 0.005 / 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 : REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.11737
7752
5.1 %
RANDOM
Rwork
0.0996
-
-
-
all
0.10047
145242
-
-
obs
0.10047
145242
99.88 %
-
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