Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.58→51.57 Å / Cor.coef. Fo:Fc: 0.981 / Cor.coef. Fo:Fc free: 0.966 / SU B: 1.322 / SU ML: 0.025 / Cross valid method: THROUGHOUT / ESU R: 0.008 / ESU R Free: 0.01 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.11597
2024
2.5 %
RANDOM
Rwork
0.08754
-
-
-
obs
0.08824
78756
97.16 %
-
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