Method to determine structure: SAD / Resolution: 1.85→23.86 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.934 / SU B: 2.766 / SU ML: 0.071 / Cross valid method: THROUGHOUT / ESU R: 0.174 / ESU R Free: 0.148 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2191
981
9.9 %
RANDOM
Rwork
0.18336
-
-
-
obs
0.18681
8902
99.76 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK