Reverse Monte Carlo Study of Diffuse Scattering from a Frustrated Protein System
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 a–b 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.
KeywordsBragg Peak Diffuse Scattering Small Angle Scattering Solvent Region Reverse Monte Carlo
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.