Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97 Å / Relative weight: 1
Reflection
Resolution: 1.85→60 Å / Num. obs: 19848 / % possible obs: 99.8 % / Redundancy: 3.8 % / Net I/σ(I): 22.3
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0029
refinement
HKL-2000
datascaling
Coot
modelbuilding
Refinement
Resolution: 1.85→33.22 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.926 / SU B: 3.572 / SU ML: 0.109 / Cross valid method: THROUGHOUT / ESU R: 0.167 / ESU R Free: 0.155 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24457
1017
5.1 %
RANDOM
Rwork
0.19599
-
-
-
obs
0.19846
18829
99.61 %
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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