Reverse Monte Carlo Study of Diffuse Scattering from a Frustrated Protein System

  • T. R. WelberryEmail author
  • A. P. Heerdegen
  • P. D. Carr


Distinctive diffuse rings around Bragg positions have been observed in the diffraction patterns of a crystal of the N-terminal fragment of the Gag protein from Feline Foamy Virus. It is shown that these are caused by geometric frustration as molecules try to pack on the triangular ab mesh of the space group P6122. The disorder prohibits conventional structure solution. The possibility of using the diffuse scattering to aid solution is explored using Reverse Monte Carlo modelling.


Bragg Peak Diffuse Scattering Small Angle Scattering Solvent Region Reverse Monte Carlo 
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The authors wish to thank David Goldstone for allowing us to use his X-ray data and Dr. Darren Goossens for assistance with the manuscript preparation.


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Copyright information

© Springer Science+Business Media Dordrecht 2013

Authors and Affiliations

  • T. R. Welberry
    • 1
    Email author
  • A. P. Heerdegen
    • 1
  • P. D. Carr
    • 1
  1. 1.Research School of ChemistryAustralian National UniversityCanberraAustralia

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