解像度: 1.66→55.385 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.968 / WRfactor Rfree: 0.1929 / WRfactor Rwork: 0.1629 / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.8775 / SU B: 1.638 / SU ML: 0.054 / SU R Cruickshank DPI: 0.073 / SU Rfree: 0.0741 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.073 / ESU R Free: 0.074 / 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. THE MOLECULAR REPLACEMENT WAS NOT USED, COORDINATES FROM 4J27 WERE CONVERTED INTO THE (ALMOST) ISOMORPHOUS ...詳細: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT U VALUES: REFINED INDIVIDUALLY. THE MOLECULAR REPLACEMENT WAS NOT USED, COORDINATES FROM 4J27 WERE CONVERTED INTO THE (ALMOST) ISOMORPHOUS CELL OF 4JFU TO BUILD A STARTING MODEL DIRECTLY. THE RFREE FLAG FROM 4J27 WAS USED FOR THIS DATASET.
Rfactor
反射数
%反射
Selection details
Rfree
0.1775
7225
5 %
AS 4J27
Rwork
0.1521
-
-
-
obs
0.1534
144771
99.08 %
-
all
-
145075
-
-
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: MASK