解像度: 2.8→51.82 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.891 / WRfactor Rfree: 0.2688 / WRfactor Rwork: 0.2039 / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.7031 / SU B: 20.159 / SU ML: 0.403 / SU Rfree: 0.454 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.454 / 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
0.2923
328
4.7 %
RANDOM
Rwork
0.2267
-
-
-
all
0.2298
6917
-
-
obs
0.2298
6917
99.14 %
-
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