Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 2.1→30 Å / Num. obs: 26832 / % possible obs: 96.2 % / Observed criterion σ(I): 0 / Redundancy: 6.2 % / Rmerge(I) obs: 0.11 / Net I/σ(I): 20.2
Reflection shell
Resolution: 2.1→2.18 Å / Redundancy: 3 % / Mean I/σ(I) obs: 2.99 / % possible all: 80.7
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
HKL-2000
datascaling
MOLREP
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.31→55.56 Å / Cor.coef. Fo:Fc: 0.933 / Cor.coef. Fo:Fc free: 0.912 / SU B: 12.873 / SU ML: 0.145 / Cross valid method: THROUGHOUT / ESU R Free: 0.226 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.227
1002
5.1 %
RANDOM
Rwork
0.193
-
-
-
obs
0.195
18691
97.5 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK