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

  • T. R. Welberry
  • A. P. Heerdegen
  • P. D. Carr

Abstract

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.

Keywords

Bragg Peak Diffuse Scattering Small Angle Scattering Solvent Region Reverse Monte Carlo 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Notes

Acknowledgements

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
  • A. P. Heerdegen
    • 1
  • P. D. Carr
    • 1
  1. 1.Research School of ChemistryAustralian National UniversityCanberraAustralia

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