Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.75→47.49 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.943 / SU B: 2.994 / SU ML: 0.09 / Cross valid method: THROUGHOUT / ESU R: 0.116 / ESU R Free: 0.116 Details: HYDROGENS HAVE BEEN ADDED IN THEIR RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Rfree
0.224
1538
5.003 %
Rwork
0.181
-
-
obs
-
30740
100 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT