Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5 Å / Relative weight: 1
Reflection
Resolution: 2.9→50.01 Å / Num. obs: 126662 / % possible obs: 99.9 % / Redundancy: 5.9 % / Rmerge(I) obs: 0.094 / Net I/σ(I): 57.4
Reflection shell
Resolution: 2.9→3 Å / Redundancy: 12.7 % / Rmerge(I) obs: 0.407 / Mean I/σ(I) obs: 9.1 / % possible all: 99.7
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0103
refinement
HKL-2000
dataprocessing
SCALA
datascaling
MOLREP
phasing
Refinement
Resolution: 2.9→50.01 Å / Cor.coef. Fo:Fc: 0.929 / Cor.coef. Fo:Fc free: 0.874 / SU B: 18.098 / SU ML: 0.335 / Cross valid method: THROUGHOUT / ESU R Free: 0.438 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24597
6657
5 %
RANDOM
Rwork
0.18497
-
-
-
obs
0.18802
125831
99.22 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK