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Characterisation of molecular motions in cryo-EM single-particle data by multi-body refinement in RELION. | LitMetric

AI Article Synopsis

  • Traditional cryo-EM techniques struggle with analyzing macromolecular complexes that have continuous structural flexibility.
  • A new tool called multi-body refinement helps by treating these complexes as multiple rigid bodies that can move independently, enhancing reconstruction quality through automated focused refinements.
  • The tool also uses principal component analysis to visualize the significant motions of these bodies, providing valuable insights into the structure and dynamics of complex systems, as demonstrated in two specific test cases.

Article Abstract

Macromolecular complexes that exhibit continuous forms of structural flexibility pose a challenge for many existing tools in cryo-EM single-particle analysis. We describe a new tool, called multi-body refinement, which models flexible complexes as a user-defined number of rigid bodies that move independently from each other. Using separate focused refinements with iteratively improved partial signal subtraction, the new tool generates improved reconstructions for each of the defined bodies in a fully automated manner. Moreover, using principal component analysis on the relative orientations of the bodies over all particle images in the data set, we generate movies that describe the most important motions in the data. Our results on two test cases, a cytoplasmic ribosome from , and the spliceosomal B-complex from yeast, illustrate how multi-body refinement can be useful to gain unique insights into the structure and dynamics of large and flexible macromolecular complexes.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6005684PMC
http://dx.doi.org/10.7554/eLife.36861DOI Listing

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