構造決定の手法: 単波長異常分散 / 解像度: 2.5→49.72 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.942 / WRfactor Rfree: 0.2524 / WRfactor Rwork: 0.2149 / FOM work R set: 0.739 / SU B: 14.237 / SU ML: 0.288 / SU R Cruickshank DPI: 0.656 / SU Rfree: 0.296 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.656 / ESU R Free: 0.296 / 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 : REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.2519
955
5.3 %
RANDOM
Rwork
0.2173
-
-
-
obs
0.2191
16995
99.82 %
-
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