Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.86→72.8 Å / Num. obs: 55555 / % possible obs: 98 % / Redundancy: 5.5 % / Net I/σ(I): 15.8
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0189
refinement
iMOSFLM
datareduction
Aimless
datascaling
REFMAC
phasing
Refinement
Resolution: 1.86→72.79 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.929 / SU B: 3.446 / SU ML: 0.102 / Cross valid method: THROUGHOUT / ESU R: 0.142 / ESU R Free: 0.134 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23335
2856
4.9 %
RANDOM
Rwork
0.198
-
-
-
obs
0.19973
55555
97.82 %
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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