Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.37 Å / Relative weight: 1
Reflection
Resolution: 2.3→47.8 Å / Num. obs: 32318 / % possible obs: 96 % / Redundancy: 14.3 % / Net I/σ(I): 21.4
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0189
refinement
iMOSFLM
datareduction
Aimless
datascaling
REFMAC
phasing
Refinement
Resolution: 2.3→47.77 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.898 / SU B: 7.693 / SU ML: 0.186 / Cross valid method: THROUGHOUT / ESU R: 0.312 / ESU R Free: 0.237 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25961
1675
4.9 %
RANDOM
Rwork
0.21895
-
-
-
obs
0.221
32318
95.91 %
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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