Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 2.8→30 Å / Num. obs: 39483 / % possible obs: 90.7 % / Redundancy: 1.8 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 6.5
Reflection shell
Resolution: 2.8→2.9 Å / Redundancy: 1.4 % / Rmerge(I) obs: 0.25 / Mean I/σ(I) obs: 3 / % possible all: 81.9
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0005
refinement
DENZO
datareduction
SCALEPACK
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.79→29.81 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.877 / SU B: 14.954 / SU ML: 0.289 / 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
0.255
1979
5 %
RANDOM
Rwork
0.179
-
-
-
obs
0.182
37504
93.6 %
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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