Resolution: 2.3→2.34 Å / Redundancy: 7.6 % / Rmerge(I) obs: 0.457 / Mean I/σ(I) obs: 7.2 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0069
refinement
DENZO
datareduction
SCALEPACK
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.3→20 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.942 / SU B: 5.234 / SU ML: 0.126 / Cross valid method: THROUGHOUT / ESU R: 0.246 / ESU R Free: 0.183 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.189
2430
5 %
RANDOM
Rwork
0.144
-
-
-
obs
0.146
45997
99.81 %
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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