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Related Experiment Video

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Biochemical and Structural Characterization of the Carbohydrate Transport Substrate-binding-protein SP0092

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Published on: October 2, 2017

Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow

Bin Wang¹, Xiaodong Zou¹, Stef Smeets¹

¹Department of Materials and Environmental Chemistry, Stockholm University, Stockholm 106 91, Sweden.

|October 3, 2019

Summary

Serial rotation electron diffraction (SerialRED) automates 3D electron diffraction data collection. This high-throughput method enables autonomous crystal screening and structure analysis with reduced expertise requirements.

Keywords:

automated data collection electron diffraction hierarchical cluster analysis microED serial crystallography structure determination

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Area of Science:

Crystallography
Materials Science
Electron Microscopy

Background:

Serial electron diffraction (SED) enables analyzing submicrometre crystals.
Continuous rotation electron diffraction (cRED) collects diffraction data during crystal rotation.

Purpose of the Study:

To develop and validate Serial rotation electron diffraction (SerialRED) as a fully automated 3D electron diffraction data collection technique.
To assess SerialRED's capability for high-throughput crystal screening and structure determination.

Main Methods:

Automated crystal detection and continuous rotation electron diffraction (cRED) data collection.
Image processing for crystal detection and dynamic tracking during rotation.
A data processing pipeline with hierarchical cluster analysis for phase identification and data merging.

Main Results:

SerialRED screens up to 500 crystals per hour, collecting cRED data autonomously.
Successfully applied to zeolites and a beam-sensitive metal-organic framework.
Individual crystal phases in multi-phase samples were identified and their structures determined.

Conclusions:

SerialRED provides automated, high-throughput crystal structure analysis.
Refined structures from SerialRED data are comparable to manual cRED data.
SerialRED lowers expertise demands and labor intensity, making it a promising tool.