Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 1.85→20 Å / Num. obs: 40393 / % possible obs: 98.9 % / Redundancy: 6.6 % / Net I/σ(I): 32.1
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0032
refinement
HKL-2000
datareduction
HKL-2000
datascaling
autoSHARP
phasing
Refinement
Resolution: 1.85→19.77 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.934 / SU B: 2.579 / SU ML: 0.079 / Cross valid method: THROUGHOUT / ESU R: 0.124 / ESU R Free: 0.123 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21883
2046
5.1 %
RANDOM
Rwork
0.17661
-
-
-
obs
0.1787
38347
98.94 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å