Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 2.6→50 Å / Num. obs: 8289 / % possible obs: 99.7 % / Redundancy: 13 % / Rmerge(I) obs: 0.16 / Net I/σ(I): 48.6
Reflection shell
Resolution: 2.8→2.85 Å / Rmerge(I) obs: 0.649 / Mean I/σ(I) obs: 5.9 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHENIX
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.8→50 Å / Cor.coef. Fo:Fc: 0.911 / Cor.coef. Fo:Fc free: 0.802 / SU B: 14.796 / SU ML: 0.299 / Cross valid method: THROUGHOUT / ESU R Free: 0.409 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2829
383
4.6 %
RANDOM
Rwork
0.25134
-
-
-
obs
0.25283
7871
99.54 %
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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