解像度: 2.2→50 Å / Cor.coef. Fo:Fc: 0.915 / Cor.coef. Fo:Fc free: 0.897 / WRfactor Rfree: 0.2682 / WRfactor Rwork: 0.2314 / FOM work R set: 0.8341 / SU B: 13.612 / SU ML: 0.163 / SU R Cruickshank DPI: 0.2666 / SU Rfree: 0.2137 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.267 / ESU R Free: 0.214 / 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 : WITH TLS ADDED
Rfactor
反射数
%反射
Selection details
Rfree
0.2661
2463
5.1 %
RANDOM
Rwork
0.2328
-
-
-
obs
0.2345
46153
98.34 %
-
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