解像度: 2.06→132.45 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.93 / SU B: 10.597 / SU ML: 0.126 / 交差検証法: THROUGHOUT / ESU R: 0.22 / ESU R Free: 0.178 / 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.
Rfactor
反射数
%反射
Selection details
Rfree
0.21453
12978
5 %
RANDOM
Rwork
0.16834
-
-
-
obs
0.17068
245106
92.68 %
-
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