Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 4, 2012
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97856 Å / Relative weight: 1
Reflection
Resolution: 3.3→50 Å / Num. obs: 35382 / % possible obs: 100 % / Redundancy: 6.9 % / Net I/σ(I): 14.8
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0107
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHASER
phasing
Refinement
Resolution: 3.3→35 Å / Cor.coef. Fo:Fc: 0.902 / Cor.coef. Fo:Fc free: 0.859 / Cross valid method: THROUGHOUT / ESU R Free: 0.595 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26048
1772
5 %
RANDOM
Rwork
0.21849
-
-
-
obs
0.22057
33600
99.84 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK