Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97952 Å / Relative weight: 1
Reflection
Resolution: 2.8→50 Å / Num. obs: 13799 / % possible obs: 97.6 % / Observed criterion σ(I): 0.2 / Redundancy: 8.8 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 24
Reflection shell
Resolution: 2.8→2.85 Å / Redundancy: 4.8 % / Rmerge(I) obs: 0.29 / Mean I/σ(I) obs: 4.36 / % possible all: 93.9
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
HKL-2000
datareduction
SCALEPACK
datascaling
PHENIX
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.81→50 Å / Cor.coef. Fo:Fc: 0.917 / Cor.coef. Fo:Fc free: 0.896 / SU B: 23.016 / SU ML: 0.202 / Cross valid method: THROUGHOUT / ESU R Free: 0.314 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23493
667
5 %
RANDOM
Rwork
0.19426
-
-
-
obs
0.19624
12615
96.35 %
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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