Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Relative weight: 1
Reflection
Resolution: 3.31→34.2 Å / Num. obs: 10020
Reflection shell
Highest resolution: 3.31 Å
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Processing
Software
Name
Version
Classification
HKL-2000
datacollection
MOLREP
phasing
REFMAC
5.5.0109
refinement
HKL-2000
datareduction
HKL-2000
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.31→34.18 Å / Cor.coef. Fo:Fc: 0.795 / Cor.coef. Fo:Fc free: 0.74 / SU B: 34.074 / SU ML: 0.603 / Cross valid method: THROUGHOUT / ESU R Free: 0.738 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.31183
482
4.8 %
RANDOM
Rwork
0.26325
-
-
-
obs
0.26552
9535
99.77 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK