解像度: 2.2→48.67 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.902 / SU B: 23.311 / SU ML: 0.254 / 交差検証法: THROUGHOUT / ESU R: 0.325 / ESU R Free: 0.25 / 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 RESIDUAL ONLY 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
0.28841
2661
5.1 %
RANDOM
Rwork
0.23859
-
-
-
obs
0.24112
49570
99.41 %
-
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: MASK