Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97911 Å / Relative weight: 1
Reflection
Resolution: 2→85 Å / Num. obs: 30567 / % possible obs: 93.3 % / Redundancy: 10.5 % / Net I/σ(I): 10.7
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
MOSFLM
datareduction
SCALA
datascaling
AutoSol
phasing
Refinement
Method to determine structure: SAD / Resolution: 2→30 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.937 / Cross valid method: THROUGHOUT / ESU R: 0.25 / ESU R Free: 0.201 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2601
1525
5 %
RANDOM
Rwork
0.21824
-
-
-
obs
0.22025
28974
93.22 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å