解像度: 1.42→56.42 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.959 / WRfactor Rfree: 0.212 / WRfactor Rwork: 0.178 / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.854 / SU R Cruickshank DPI: 0.072 / SU Rfree: 0.075 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.072 / ESU R Free: 0.075 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT U VALUES : REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.205
17544
9.9 %
RANDOM
Rwork
0.172
159303
-
-
obs
0.175
176847
95.7 %
-
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