Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.979 Å / Relative weight: 1
Reflection
Resolution: 2.3→48 Å / Num. obs: 10085 / % possible obs: 99.2 % / Observed criterion σ(I): 0 / Redundancy: 26.5 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 25.5
Reflection shell
Resolution: 2.3→2.36 Å / Redundancy: 23.7 % / Rmerge(I) obs: 0.92 / Mean I/σ(I) obs: 3.9 / % possible all: 92.8
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0032
refinement
PHENIX
phasing
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 2.3→30.47 Å / Cor.coef. Fo:Fc: 0.922 / Cor.coef. Fo:Fc free: 0.883 / SU B: 22.17 / SU ML: 0.257 / Cross valid method: THROUGHOUT / ESU R: 0.533 / ESU R Free: 0.296 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28406
483
4.8 %
RANDOM
Rwork
0.23586
-
-
-
obs
0.23803
9576
98.85 %
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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