Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97625 Å / Relative weight: 1
Reflection
Resolution: 1.76→39.09 Å / Num. obs: 151973 / % possible obs: 100 % / Redundancy: 7.4 % / Net I/σ(I): 13.3
Reflection shell
Resolution: 1.76→1.81 Å / Mean I/σ(I) obs: 1.4
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
xia2
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Resolution: 1.76→39.09 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.961 / SU B: 2.623 / SU ML: 0.078 / Cross valid method: THROUGHOUT / ESU R: 0.107 / ESU R Free: 0.098 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18956
7486
4.9 %
RANDOM
Rwork
0.16857
-
-
-
obs
0.16962
144387
99.96 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK