解像度: 2.2→37.48 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.933 / WRfactor Rfree: 0.1957 / WRfactor Rwork: 0.1639 / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.8819 / SU B: 9.776 / SU ML: 0.118 / SU R Cruickshank DPI: 0.1943 / SU Rfree: 0.1733 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.173 / 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
0.2268
1110
5 %
RANDOM
Rwork
0.1858
-
-
-
all
0.1878
22314
-
-
obs
0.1878
22310
99.98 %
-
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