解像度: 2.33→28.11 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.913 / WRfactor Rfree: 0.2651 / WRfactor Rwork: 0.2142 / Occupancy max: 1 / Occupancy min: 0.05 / FOM work R set: 0.7616 / SU B: 17.571 / SU ML: 0.187 / SU R Cruickshank DPI: 0.2455 / SU Rfree: 0.2237 / 交差検証法: THROUGHOUT / ESU R Free: 0.224 / 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
0.2704
639
5 %
RANDOM
Rwork
0.2154
-
-
-
obs
0.218
12779
95.57 %
-
all
-
13297
-
-
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