Controlling Protein Orientation in Vacuum Using Electric Fields
- 11 September 2017
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry Letters
- Vol. 8 (18), 4540-4544
- https://doi.org/10.1021/acs.jpclett.7b02005
Abstract
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.Funding Information
- Engineering and Physical Sciences Research Council (EP/J01835X/1)
- Royal Society
- Vetenskapsr?det (2013-03940, 2015-00559)
- FP7 People: Marie-Curie Actions
- Helmholtz-Gemeinschaft
- Stiftelsen f?r?Strategisk Forskning
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