Resolution: 3.05→3.1 Å / Redundancy: 6.7 % / Rmerge(I) obs: 0.348 / Mean I/σ(I) obs: 4.682 / % possible all: 97.2
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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: Phaser / Resolution: 3.05→46.91 Å / Cor.coef. Fo:Fc: 0.925 / Cor.coef. Fo:Fc free: 0.873 / SU B: 36.628 / SU ML: 0.293 / Cross valid method: THROUGHOUT / ESU R Free: 0.411 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22079
5833
5 %
RANDOM
Rwork
0.17822
-
-
-
obs
0.18037
110579
99.34 %
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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