Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.34→50 Å / Num. obs: 98338 / % possible obs: 95.8 % / Redundancy: 2.9 % / Rmerge(I) obs: 0.061 / Net I/σ(I): 27.7
Reflection shell
Resolution: 1.34→1.4 Å / Redundancy: 1.9 % / % possible all: 88.1
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
HKL-2000
datacollection
PHASER
phasing
Refinement
Resolution: 1.34→50 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.939 / SU B: 1.9 / SU ML: 0.036 / Cross valid method: THROUGHOUT / ESU R: 0.067 / ESU R Free: 0.063 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20538
4916
5 %
RANDOM
Rwork
0.16363
-
-
-
obs
0.16574
93220
95.31 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK