Method to determine structure: MOLECULAR REPLACEMENT Starting model: An in-house model not deposited Resolution: 3→36.61 Å / Cor.coef. Fo:Fc: 0.75 / Cor.coef. Fo:Fc free: 0.686 / SU B: 24.332 / SU ML: 0.449 / Cross valid method: THROUGHOUT / ESU R Free: 0.699 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.33167
803
5.1 %
RANDOM
Rwork
0.28861
-
-
-
obs
0.29085
14906
86.12 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK