Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.22→52.09 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.929 / Occupancy max: 1 / Occupancy min: 0.4 / SU B: 7.397 / SU ML: 0.187 / SU R Cruickshank DPI: 0.5288 / Cross valid method: THROUGHOUT / ESU R: 0.532 / ESU R Free: 0.259 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24604
1257
5.1 %
RANDOM
Rwork
0.20114
-
-
-
obs
0.20343
23444
95.48 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK