Mass: 29323.725 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Microbacterium sp. (bacteria) / Production host: Escherichia coli (E. coli)
Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Nov 21, 2015
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.038 Å / Relative weight: 1
Reflection
Resolution: 2.1→50 Å / Num. obs: 69549 / % possible obs: 98.9 % / Redundancy: 6.7 % / Net I/σ(I): 24.9
Reflection shell
Resolution: 2.1→2.14 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0155
refinement
XDS
datareduction
XSCALE
datascaling
CRANK2
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.1→43.6 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.941 / Cross valid method: THROUGHOUT / ESU R: 0.22 / ESU R Free: 0.174 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24187
3489
5 %
RANDOM
Rwork
0.22688
-
-
-
obs
0.22763
66018
98.44 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å