Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97625 Å / Relative weight: 1
Reflection
Resolution: 3.01→76.43 Å / Num. obs: 37339 / % possible obs: 99.8 % / Observed criterion σ(I): 2.1 / Redundancy: 5.4 % / Rmerge(I) obs: 0.12 / Net I/σ(I): 11.4
Reflection shell
Resolution: 3.01→3.09 Å / Redundancy: 5.8 % / Rmerge(I) obs: 0.83 / Mean I/σ(I) obs: 2.1 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.01→76.43 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.906 / SU B: 60.005 / SU ML: 0.453 / Cross valid method: THROUGHOUT / ESU R Free: 0.475 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26614
1869
5 %
RANDOM
Rwork
0.21107
-
-
-
obs
0.21379
35469
99.75 %
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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