Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.979 Å / Relative weight: 1
Reflection
Resolution: 2.05→50 Å / Num. obs: 14528 / % possible obs: 99.1 % / Redundancy: 3.4 % / Net I/σ(I): 22.7
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0029
refinement
Coot
modelbuilding
HKL-2000
datascaling
HKL-2000
dataprocessing
Refinement
Resolution: 2.06→30.53 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.932 / SU B: 6.512 / SU ML: 0.177 / Cross valid method: THROUGHOUT / ESU R: 0.284 / ESU R Free: 0.214 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26237
724
5 %
RANDOM
Rwork
0.21978
-
-
-
obs
0.22184
13804
99.02 %
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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