Resolution: 1.101→1.106 Å / Rmerge(I) obs: 0.401 / Mean I/σ(I) obs: 12.58
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Processing
Software
Name
Classification
MAR345dtb
datacollection
REFMAC
refinement
XDS
datareduction
XDS
datascaling
REFMAC
phasing
Refinement
Resolution: 1.1→53.33 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.973 / SU B: 0.262 / SU ML: 0.013 / Cross valid method: THROUGHOUT / ESU R: 0.023 / ESU R Free: 0.023 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.13749
7607
5 %
RANDOM
Rwork
0.13078
-
-
-
obs
0.13112
144532
99.75 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK