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Growing Protein Crystals with Distinct Dimensions Using Automated Crystallization Coupled with In Situ Dynamic Light Scattering
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Intermolecular correlations are necessary to explain diffuse scattering from protein crystals.

Ariana Peck1, Frédéric Poitevin2,3, Thomas J Lane4

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X-ray diffuse scattering from protein crystals is not solely from internal protein movements. Intermolecular correlations, or disorder between neighboring proteins, are crucial for accurately interpreting this signal for biological insights.

Keywords:
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Area of Science:

  • Structural Biology
  • Biophysics
  • Crystallography

Background:

  • Protein conformational changes are essential for biological functions like catalysis and signaling.
  • X-ray diffuse scattering from protein crystals is a potential tool to study these dynamics.
  • Recent studies suggest diffuse scattering may arise from rigid-body motions, impacting its interpretation.

Purpose of the Study:

  • To investigate the nature of disorder causing diffuse scattering in protein crystals.
  • To determine the applicability of diffuse scattering for understanding biological dynamics.
  • To evaluate various disorder models against experimental diffuse scattering data.

Main Methods:

  • Reconstruction of diffuse scattering signals from three protein crystal datasets.
  • Assessment of diverse disorder models, including intramolecular dynamics and rigid-body motions.
  • Comparison of model agreement with experimental diffuse maps, focusing on correlation ranges.

Main Results:

  • Intramolecular conformational dynamics models failed to explain the diffuse scattering signal.
  • Rigid-body and short-range liquid-like motion models showed limited agreement.
  • Including intermolecular correlations significantly improved model agreement with experimental data.

Conclusions:

  • Diffuse scattering signals in protein crystals are significantly influenced by intermolecular disorder.
  • Accurate interpretation of diffuse scattering for biological motions requires accounting for inter-protein correlations.
  • This finding impacts the use of diffuse scattering for both structural inference and understanding protein dynamics.