Resolution: 2→2.07 Å / Redundancy: 14.7 % / Rmerge(I) obs: 0.483 / Mean I/σ(I) obs: 7.8 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.5.0102
refinement
SCALEPACK
datareduction
HKL-2000
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 2→38.1 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.931 / Cross valid method: THROUGHOUT / ESU R: 0.135 / ESU R Free: 0.126 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23631
1729
4.8 %
RANDOM
Rwork
0.21511
-
-
-
obs
0.21617
34383
99.8 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK