解像度: 1.92→35.11 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.927 / WRfactor Rfree: 0.1888 / WRfactor Rwork: 0.1533 / Occupancy max: 1 / Occupancy min: 0.3 / FOM work R set: 0.9001 / SU B: 5.091 / SU ML: 0.078 / SU R Cruickshank DPI: 0.1383 / SU Rfree: 0.1297 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.138 / ESU R Free: 0.13 / 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. ARP/WARP WAS USED IN ATOM UPDATE AND AUTO BUILD MODES. COOT AND THE MOLPROBITY SERVER WERE ALSO USED DURING REFINEMENT.
Rfactor
反射数
%反射
Selection details
Rfree
0.2039
1370
5 %
RANDOM
Rwork
0.1649
-
-
-
obs
0.1668
27317
99.97 %
-
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