Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 2.4→62.078 Å / Num. obs: 8171 / % possible obs: 87.6 % / Redundancy: 7.9 % / Net I/σ(I): 11.7
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0189
refinement
HKL-2000
datareduction
HKL-2000
datascaling
REFMAC
phasing
Refinement
Resolution: 2.4→32.93 Å / Cor.coef. Fo:Fc: 0.911 / Cor.coef. Fo:Fc free: 0.871 / SU B: 10.111 / SU ML: 0.227 / Cross valid method: THROUGHOUT / ESU R: 0.914 / ESU R Free: 0.298 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24243
384
4.7 %
RANDOM
Rwork
0.20522
-
-
-
obs
0.20702
7709
87.22 %
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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