February 2010 Archives

For the MX endstation we've characterized the dependence of the direct beam on detector distance and 2-theta. We collected 4 sweeps of the detector from 120mm to 1600mm combined with 2-theta offsets from 0º up to 12º. These are the gnuplot 3D plots of the data.
xbeams.png ybeams.png
This set of 3D plots uses gnuplots pm3d settings to generate colorful versions:
xbeam3ds.png ybeam3ds.png
Click the images to view larger versions, and hit the "jump" to read the gory details of the polynomial equation used to determine x-beam and y-beam given any value of detector distance (CCD_Z) and 2-theta.
FoXS, a new webapp which uses the Debye formula for calculating theoretical scattering profiles, has been made available on the ModBase website. Give it a try to see how it compares to CRYSOL.

FoXS.png
FoXS is a method for computing a theoretical scattering profile of a structure and fitting of experimental profile. FoXS can be used as a basic tool for numerous structural modeling applications with SAXS data:

  • Comparison of solution and X-ray structure conformations
  • Modeling of different conformation, i.e. model active conformation starting from non-active
  • Structural characterization of flexible proteins
  • Assembly of multi domain proteins starting from single domain structures
  • Assembly of multi protein complexes
  • Fold recognition and comparative modeling
  • Determination of biologically relevant state from the crystals

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