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Controlling Protein Orientation in Vacuum Using Electric Fields
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Biochemistry. Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, South Parks Rd, Oxford GB 0X1 3QZ, England..ORCID iD: 0000-0002-9804-5009
DESY, Ctr Free Electron Laser Sci, DE-22607 Hamburg, Germany..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, South Parks Rd, Oxford GB 0X1 3QZ, England..
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2017 (English)In: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 8, no 18, p. 4540-4544Article in journal (Refereed) Published
Abstract [en]

Single-particle imaging using X-ray free-electron lasers is an emerging technique that could provide high-resolution structures of macromolecules in the gas phase. One of the largest difficulties in realizing this goal is the unknown orientation of the individual sample molecules at the time of exposure. Preorientation of the molecules has been identified as a possible solution to this problem. Using molecular dynamics simulations, we identify a range of electric field strengths where proteins become oriented without losing their structure. For a number of experimentally relevant cases we show that structure determination is possible only when orientation information is included in the orientation-recovery process. We conclude that nondestructive field orientation of intact proteins is feasible and that it enables a range of new structural investigations with single particle imaging.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2017. Vol. 8, no 18, p. 4540-4544
National Category
Physical Chemistry
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URN: urn:nbn:se:uu:diva-336478DOI: 10.1021/acs.jpclett.7b02005ISI: 000411781900033PubMedID: 28862456OAI: oai:DiVA.org:uu-336478DiVA, id: diva2:1168322
Available from: 2017-12-20 Created: 2017-12-20 Last updated: 2017-12-20Bibliographically approved

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Marklund, ErikCaleman, Carl

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