ジャーナル: J.Biol.Chem. / 年: 2016 タイトル: Structural and Functional Characterization of the PaaI Thioesterase from Streptococcus pneumoniae Reveals a Dual Specificity for Phenylacetyl-CoA and Medium-chain Fatty Acyl-CoAs and a ...タイトル: Structural and Functional Characterization of the PaaI Thioesterase from Streptococcus pneumoniae Reveals a Dual Specificity for Phenylacetyl-CoA and Medium-chain Fatty Acyl-CoAs and a Novel CoA-induced Fit Mechanism. 著者: Khandokar, Y.B. / Srivastava, P. / Sarker, S. / Swarbrick, C.M. / Aragao, D. / Cowieson, N. / Forwood, J.K.
解像度: 2.2→81.06 Å / Cor.coef. Fo:Fc: 0.937 / Cor.coef. Fo:Fc free: 0.92 / SU B: 0.006 / SU ML: 0 / 交差検証法: THROUGHOUT / ESU R: 0.186 / ESU R Free: 0.216 / 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
0.2366
2715
5 %
RANDOM
Rwork
0.2029
-
-
-
obs
0.20455
51359
95.64 %
-
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