Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.0703 Å / Relative weight: 1
Reflection
Resolution: 3→90 Å / Num. obs: 5574 / % possible obs: 97.8 % / Redundancy: 4.2 % / Net I/σ(I): 14.2
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
XDS
datascaling
PHASER
phasing
Refinement
Resolution: 3→60 Å / Cor.coef. Fo:Fc: 0.93 / Cor.coef. Fo:Fc free: 0.882 / SU B: 51.983 / SU ML: 0.428 / Cross valid method: THROUGHOUT / ESU R Free: 0.546 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.30879
250
4.5 %
RANDOM
Rwork
0.25335
-
-
-
obs
0.25551
5322
97.62 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK