Resolution: 2.1→39.55 Å / Cor.coef. Fo:Fc: 0.913 / Cor.coef. Fo:Fc free: 0.901 / SU B: 5.243 / SU ML: 0.142 / Cross valid method: THROUGHOUT / ESU R: 0.305 / ESU R Free: 0.213 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25632
385
5 %
RANDOM
Rwork
0.23098
-
-
-
obs
0.2322
7294
99.99 %
-
all
-
7287
-
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK