Re: [ccp4bb]: question

[Morten Kjeldgaard <mok@imsb.au.dk>]

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Tommy,

> Does anyone know how to average out the crystallographic structure factors 
> and/or measured intensities and convert them into a 1D intensity versus 
> spatial frequency (1/lambda) plot ? To put it another way, I want to know if 
> there is a way to approximate SAXS intensities by rotationally averaging out 
> the crystallographic intensities. I suppose this is a silly question, but 
> that is fine with me :)

I don't think it makes sense to do that from the diffraction data unless,
perhaps, if the crystal is in the triclinic space group.  Another point is
that diffraction data very rarely contains the lowest angle terms which
are the ones you are most interested in for this purpose. You can,
however, compute a SAXS scattering profile from coordinates and programs
exist to do that.

/Morten

-- 
Morten Kjeldgaard   <mok@imsb.au.dk>             | Phone : +45 89 42 50 26
Institute of Molecular and Structural Biology    | Fax   : +45 86 12 31 78
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