構造決定の手法: 分子置換 / 解像度: 1.5→29.16 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.953 / WRfactor Rfree: 0.1863 / WRfactor Rwork: 0.1498 / Occupancy max: 1 / Occupancy min: 0.25 / FOM work R set: 0.9043 / SU B: 2.768 / SU ML: 0.046 / SU R Cruickshank DPI: 0.0696 / SU Rfree: 0.0742 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.074 / 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
0.1848
21394
5 %
RANDOM
Rwork
0.1486
-
-
-
all
0.1504
426044
-
-
obs
0.1504
425940
94.83 %
-
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