RE: total scattering due to a molecule

["Ditlev Brodersen" <ding@imsb.au.dk>]

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Hi Riikka,

> Does anybody have/know a program which calculates total scattering due to a
> molecule? I would need this for estimating how many selen atoms would be
> required for a MAD-experiment in case of 30kDa, 100kDa and 137kDa proteins.

  Now this is one of Janet Smith's favourite tutorial examples. Take a look at
her 1991 COSB paper and you'll discover a simple formula for determining the
expected
signal from a given number of Se's:

@ARTICLE{Smi91,
   Author="Smith, J.",
   Title="Determination of Three-Dimensional Structure by Multiwavelength
Anomalous Diffraction",
   Journal="Curr. Opinion Struct. Biol.",
   Volume=1,
   Pages="1002-1011",
   Year=1991,
   Note="C43+"}

Best wishes,

  Ditlev

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