Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9173 Å / Relative weight: 1
Reflection
Resolution: 3.03→90.42 Å / Num. obs: 20882 / % possible obs: 99.8 % / Observed criterion σ(I): 2 / Redundancy: 5.3 % / Rmerge(I) obs: 0.16 / Net I/σ(I): 8.5
Reflection shell
Resolution: 3.03→3.11 Å / Redundancy: 5.4 % / Rmerge(I) obs: 0.68 / Mean I/σ(I) obs: 2.5 / % possible all: 99.8
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Processing
Software
Name
Version
Classification
REFMAC
5.5.0110
refinement
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.03→90.42 Å / Cor.coef. Fo:Fc: 0.908 / Cor.coef. Fo:Fc free: 0.848 / Cross valid method: THROUGHOUT / ESU R Free: 0.536 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27335
1070
5.1 %
RANDOM
Rwork
0.21139
-
-
-
obs
0.21452
19793
100 %
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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