Resolution: 3→3.11 Å / Redundancy: 8.4 % / Rmerge(I) obs: 0.33 / Mean I/σ(I) obs: 6 / % possible all: 99.5
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Processing
Software
Name
Version
Classification
SBC-Collect
datacollection
PHASER
phasing
REFMAC
5.5.0109
refinement
HKL-2000
datareduction
SCALEPACK
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3→48.31 Å / Cor.coef. Fo:Fc: 0.927 / Cor.coef. Fo:Fc free: 0.887 / SU B: 38.308 / SU ML: 0.31 / Cross valid method: THROUGHOUT / ESU R Free: 0.416 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23393
6174
5 %
RANDOM
Rwork
0.18505
-
-
-
obs
0.18751
116905
99.67 %
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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