Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9785 Å / Relative weight: 1
Reflection
Resolution: 2.18→50 Å / Num. obs: 56239 / % possible obs: 97 % / Redundancy: 33.6 % / Net I/σ(I): 15
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0032
refinement
Coot
modelbuilding
AutoSol
phasing
HKL-3000
dataprocessing
Refinement
Resolution: 2.18→25.25 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.944 / SU B: 3.23 / SU ML: 0.082 / Cross valid method: THROUGHOUT / ESU R: 0.143 / ESU R Free: 0.129 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.202
2583
5.1 %
RANDOM
Rwork
0.187
-
-
-
obs
0.187
48383
87.9 %
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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