Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.93 Å / Relative weight: 1
Reflection
Resolution: 2→29.3 Å / Num. obs: 67936 / % possible obs: 92.6 % / Observed criterion σ(I): -3 / Redundancy: 2.7 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 9.1
Reflection shell
Resolution: 2→2.05 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.55 / Mean I/σ(I) obs: 1.9 / % possible all: 50.4
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0103
refinement
AutoPROC
datareduction
XDS
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2→91.99 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.923 / Cross valid method: THROUGHOUT / ESU R: 0.228 / ESU R Free: 0.19 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY, BUT HAVE NOT BEEN WRITTEN INTO THE PDB FILE
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24779
3461
5.1 %
RANDOM
Rwork
0.20065
-
-
-
obs
0.20302
64415
92.43 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK