解像度: 2.5→19.84 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.934 / WRfactor Rfree: 0.2609 / WRfactor Rwork: 0.1845 / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.8073 / SU B: 23.487 / SU ML: 0.241 / SU R Cruickshank DPI: 0.7387 / SU Rfree: 0.3119 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.739 / ESU R Free: 0.312 / 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 : RESIDUAL ONLY
Rfactor
反射数
%反射
Selection details
Rfree
0.2558
1631
5.1 %
RANDOM
Rwork
0.1816
-
-
-
obs
0.1852
32292
98.58 %
-
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