Lattice dynamics of a protein crystal

Phys Rev Lett. 2007 Sep 28;99(13):138101. doi: 10.1103/PhysRevLett.99.138101. Epub 2007 Sep 25.


All-atom lattice-dynamical calculations are reported for a crystalline protein, ribonuclease A. The sound velocities, density of states, heat capacity (C(V)) and thermal diffuse scattering are all consistent with available experimental data. C(V) proportional, variant T(1.68) for T < 35 K, significantly deviating from a Debye solid. In Bragg peak vicinity, inelastic scattering of x rays by phonons is found to originate from acoustic mode scattering. The results suggest an approach to protein crystal physics combining all-atom lattice-dynamical calculations with experiments on next-generation neutron sources.

MeSH terms

  • Animals
  • Biophysics / methods*
  • Cattle
  • Hot Temperature
  • Polymers*
  • Ribonuclease, Pancreatic / chemistry*
  • Scattering, Radiation*
  • Thermodynamics
  • X-Rays*


  • Polymers
  • Ribonuclease, Pancreatic