解像度: 2.3→40.66 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.928 / SU B: 16.866 / SU ML: 0.179 / 交差検証法: THROUGHOUT / ESU R: 0.339 / ESU R Free: 0.226 / 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
0.22864
2220
5 %
RANDOM
Rwork
0.18453
-
-
-
obs
0.18674
42199
98.61 %
-
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