Data reference: 10.5281/zenodo.4446244 / Data set type: diffraction image data Details: Diffraction images used to solve the structures published in the article "Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases." Metadata reference: 10.5281/zenodo.4446244
Resolution: 1.3→76.81 Å / Cor.coef. Fo:Fc: 0.982 / Cor.coef. Fo:Fc free: 0.978 / SU B: 1.758 / SU ML: 0.032 / Cross valid method: THROUGHOUT / ESU R: 0.044 / ESU R Free: 0.043 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.16168
4810
5 %
RANDOM
Rwork
0.13398
-
-
-
obs
0.13537
91334
99.43 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å