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EM∩IM: software for relating ion mobility mass spectrometry and electron microscopy data.

Matteo T Degiacomi1, Justin L P Benesch

  • 1Department of Chemistry, Physical & Theoretical Chemistry Laboratory, South Parks Road, Oxford, OX1 3QZ, UK. matteo.degiacomi@chem.ox.ac.uk justin.benesch@chem.ox.ac.uk.

The Analyst
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Summary

EM∩IM software calculates collision cross-sections from electron density maps, aiding structural biology. This tool validates maps and integrates gas-phase data with diverse experimental methods.

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Area of Science:

  • Structural Biology
  • Computational Chemistry
  • Biophysics

Background:

  • Electron microscopy provides electron density maps for structural analysis.
  • Ion mobility mass spectrometry (IM-MS) offers insights into molecular structure and dynamics.
  • Integrating complementary structural data is crucial for comprehensive biological studies.

Purpose of the Study:

  • To introduce EM∩IM, a novel software for calculating collision cross-sections from electron density maps.
  • To enable the assessment of structures not defined by atomic coordinates.
  • To provide a new method for contouring and validating electron density maps.

Main Methods:

  • Utilizing electron density maps, typically from transmission electron microscopy.
  • Calculating collision cross-sections using the EM∩IM software.
  • Integrating data with ion mobility mass spectrometry.

Main Results:

  • Successful calculation of collision cross-sections from electron density maps.
  • Demonstrated utility for assessing structures beyond atomic resolution.
  • Provided a validated method for contouring and validating electron density maps.

Conclusions:

  • EM∩IM facilitates the integration of gas-phase data into structural biology.
  • The software enhances the analysis and validation of electron density maps.
  • EM∩IM supports diverse experimental methodologies in structural biology.