Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9 Å / Relative weight: 1
Reflection
Resolution: 1.6→50 Å / Num. obs: 15547 / % possible obs: 97.3 % / Redundancy: 6.6 % / Net I/σ(I): 29.5
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0135
refinement
HKL-2000
datareduction
HKL-2000
datascaling
SHARP
phasing
Refinement
Method to determine structure: SIRAS / Resolution: 1.6→34.77 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.952 / SU B: 1.483 / SU ML: 0.052 / Cross valid method: THROUGHOUT / ESU R: 0.085 / ESU R Free: 0.086 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20582
790
5.1 %
RANDOM
Rwork
0.17499
-
-
-
obs
0.1765
14698
97.08 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å