ジャーナル: To Be Published タイトル: Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening 著者: Chiew, B. / Scanlon, M.J.
解像度: 2.26→34.7 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.901 / SU B: 7.27 / SU ML: 0.18 / 交差検証法: THROUGHOUT / ESU R: 0.346 / ESU R Free: 0.265 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.27955
800
10.5 %
RANDOM
Rwork
0.21589
-
-
-
obs
0.22265
6815
99.32 %
-
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