Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.96861 Å / Relative weight: 1
Reflection
Resolution: 2.14→47.35 Å / Num. obs: 95581 / % possible obs: 98.8 % / Observed criterion σ(I): 2.2 / Redundancy: 3.7 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 19.5
Reflection shell
Resolution: 2.14→2.2 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.57 / Mean I/σ(I) obs: 2.2 / % possible all: 98.3
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.14→47.35 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.933 / SU B: 15.482 / SU ML: 0.172 / Cross valid method: THROUGHOUT / ESU R Free: 0.2 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24442
4791
5 %
RANDOM
Rwork
0.19792
-
-
-
obs
0.20025
90749
98.49 %
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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