Resolution: 2.5→2.65 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.915 / Mean I/σ(I) obs: 1.1 / % possible all: 94.7
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Processing
Software
Name
Classification
XDS
datascaling
REFMAC
refinement
XDS
datareduction
REFMAC
phasing
Refinement
Method to determine structure: rigid body refinement / Resolution: 2.5→47.84 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.928 / SU B: 10.195 / SU ML: 0.204 / Cross valid method: THROUGHOUT / ESU R: 0.382 / ESU R Free: 0.243 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21906
2585
5.1 %
RANDOM
Rwork
0.17687
-
-
-
obs
0.17906
50434
96.19 %
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all
-
50434
-
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK