解像度: 2.05→23.48 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.92 / WRfactor Rfree: 0.227 / WRfactor Rwork: 0.1667 / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.8436 / SU B: 9.628 / SU ML: 0.13 / SU R Cruickshank DPI: 0.2078 / SU Rfree: 0.1875 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.208 / ESU R Free: 0.188 / 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
0.2424
243
4.5 %
RANDOM
Rwork
0.1817
-
-
-
obs
0.1846
5347
97.32 %
-
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