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Microcrystal Electron Diffraction of Small Molecules
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Electron diffraction data processing with DIALS.

Max T B Clabbers1, Tim Gruene2, James M Parkhurst3

  • 1Center for Cellular Imaging and NanoAnalytics (C-CINA), Biozentrum, University of Basel, Mattenstrasse 26, 4058 Basel, Switzerland.

Acta Crystallographica. Section D, Structural Biology
|June 7, 2018
PubMed
Summary
This summary is machine-generated.

Electron diffraction offers a novel method for macromolecular structure determination using nanometre crystals. The DIALS software package has been adapted to process this data, overcoming unique challenges in electron crystallography.

Keywords:
DIALSdiffraction geometryelectron crystallographyelectron microscopyprotein nanocrystals

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Area of Science:

  • Structural biology
  • Crystallography
  • Electron microscopy

Background:

  • Electron diffraction is an emerging technique for determining macromolecular structures from small crystals.
  • Adapting the continuous-rotation method from X-ray crystallography to electron microscopy presents unique geometrical challenges.
  • The DIALS software package is being adapted to process electron diffraction data.

Purpose of the Study:

  • To present adaptations of the DIALS software for processing continuous-rotation electron diffraction data.
  • To address specific challenges in electron diffraction data integration, including instrumentation errors and geometrical complexities.
  • To demonstrate the feasibility of DIALS for electron crystallography, even in difficult cases.

Main Methods:

  • Utilizing the DIALS software package with specific adaptations for electron diffraction.
  • Implementing diagnostics for problematic diffraction geometry refinement.
  • Refining beam models and correcting distorted diffraction images.

Main Results:

  • DIALS successfully processes continuous-rotation electron diffraction data despite unique challenges.
  • Novel features in DIALS address issues like beam drift, distorted patterns, and geometrical uncertainties.
  • The adapted DIALS software enables feasible data integration and refinement for electron crystallography.

Conclusions:

  • The adapted DIALS software package is effective for processing electron diffraction data.
  • Specific features enhance the handling of instrumentation errors and geometrical complexities in electron crystallography.
  • DIALS provides a robust solution for macromolecular structure determination using electron diffraction.