Mass: 16752.646 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lachnospiraceae bacterium C6A11 (bacteria) Production host: Escherichia coli (E. coli)
Mass: 1316.330 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Prochlorococcus marinus str. MIT 9313 (bacteria) Production host: Escherichia coli (E. coli)
Mass: 18.015 Da / Num. of mol.: 123 / Source method: isolated from a natural source / Formula: H2O
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 2.39 Å3/Da / Density % sol: 48.56 %
Crystal grow
Temperature: 282 K / Method: vapor diffusion / pH: 8.5 Details: 0.02 M D-glucose, 0.02 M D-mannose, 0.02 M D-galactose, 0.02 M L-fucose, 0.02 M D-xylose, 0.0 2M N-acetyl-D-glucosamine, 0.05 M Tris and BICINE pH 8.5, 20% v/v polyethylene glycol 500 ...Details: 0.02 M D-glucose, 0.02 M D-mannose, 0.02 M D-galactose, 0.02 M L-fucose, 0.02 M D-xylose, 0.0 2M N-acetyl-D-glucosamine, 0.05 M Tris and BICINE pH 8.5, 20% v/v polyethylene glycol 500 monomethyl ether, 10% w/v polyethylene glycol 20000, and 8% v/v formamide Temp details: 9 Celsius
-
Data collection
Diffraction
Mean temperature: 80 K / Ambient temp details: liquid nitrogen flow / Serial crystal experiment: N
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97856 Å / Relative weight: 1
Reflection
Resolution: 1.98→76.4 Å / Num. obs: 47187 / % possible obs: 99.8 % / Redundancy: 5.1 % / Net I/σ(I): 9.3
Reflection shell
Resolution: 1.98→1.985 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
XDS
datascaling
AutoSol
phasing
PHENIX
modelbuilding
Refinement
Resolution: 2→50.01 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.934 / SU B: 8.264 / SU ML: 0.204 / Cross valid method: THROUGHOUT / ESU R: 0.221 / ESU R Free: 0.186 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26829
2306
5 %
RANDOM
Rwork
0.23434
-
-
-
obs
0.23606
43389
99.8 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å