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RE: total scattering due to a molecule

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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
signal from a given number of Se's:

   Author="Smith, J.",
   Title="Determination of Three-Dimensional Structure by Multiwavelength
Anomalous Diffraction",
   Journal="Curr. Opinion Struct. Biol.",

Best wishes,


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