Atomic structure of a single large biomolecule from diffraction patterns of random orientations

Journal of Structural Biology
Miklós Tegze, Gábor Bortel

Abstract

The short and intense pulses of the new X-ray free electron lasers, now operational or under construction, may make possible diffraction experiments on single molecule-sized objects with high resolution, before radiation damage destroys the sample. In a single molecule imaging (SMI) experiment thousands of diffraction patterns of single molecules with random orientations are recorded. One of the most challenging problems of SMI is how to assemble these noisy patterns of unknown orientations into a consistent single set of diffraction data. Here we present a new method which can solve the orientation problem of SMI efficiently even for large biological molecules and in the presence of noise. We show on simulated diffraction patterns of a large protein molecule, how the orientations of the patterns can be found and the structure to atomic resolution can be solved. The concept of our algorithm could be also applied to experiments where images of an object are recorded in unknown orientations and/or positions like in cryoEM or tomography.

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Citations

Jun 11, 2014·Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences·A HosseinizadehA Ourmazd
Jun 11, 2014·Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences·Andrew V Martin
Jun 11, 2014·Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences·Oleksandr YefanovAnton Barty
Mar 15, 2016·Journal of Structural Biology·Atsushi TokuhisaOsamu Miyashita
Aug 7, 2013·Journal of Structural Biology·Miklós Tegze, Gábor Bortel
Sep 15, 2012·Reports on Progress in Physics·J C H SpenceH N Chapman
Jul 1, 2016·Acta Crystallographica. Section A, Foundations and Advances·Miklós Tegze, Gábor Bortel
Jun 28, 2017·Proceedings of the National Academy of Sciences of the United States of America·Jeffrey J DonatelliPeter H Zwart
Jul 1, 2017·Journal of Synchrotron Radiation·Miki NakanoFlorence Tama
Jun 20, 2018·Nature Communications·Benjamin von ArdenneHelmut Grubmüller
Sep 6, 2018·Acta Crystallographica. Section A, Foundations and Advances·Miklós Tegze, Gábor Bortel
Nov 26, 2015·IUCrJ·Andrew V MartinHarry M Quiney
Nov 25, 2018·Optics Express·Tetsuro NagaiOsamu Miyashita
Feb 18, 2020·Journal of Molecular Biology·Ashutosh SrivastavaFlorence Tama
Sep 13, 2014·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Michał Walczak, Helmut Grubmüller
Aug 7, 2021·Journal of Chemical Information and Modeling·Sandhya P TiwariOsamu Miyashita

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