Resolution: 1.24→25.2 Å / Cor.coef. Fo:Fc: 0.984 / Cor.coef. Fo:Fc free: 0.979 / SU B: 0.811 / SU ML: 0.017 / Cross valid method: THROUGHOUT / ESU R: 0.009 / ESU R Free: 0.008 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.15451
1770
5 %
RANDOM
Rwork
0.13351
-
-
-
obs
0.13454
33515
99.88 %
-
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