解像度: 1.8→20 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.942 / WRfactor Rfree: 0.2011 / WRfactor Rwork: 0.1794 / FOM work R set: 0.872 / SU B: 4.999 / SU ML: 0.078 / SU R Cruickshank DPI: 0.1199 / SU Rfree: 0.1134 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.12 / ESU R Free: 0.113 / 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
0.2213
1242
5.1 %
RANDOM
Rwork
0.194
23248
-
-
obs
0.1954
24490
99.84 %
-
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