Journal Article

PUBDB-2018-00439

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Controlling Protein Orientation in Vacuum Using Electric Fields

Marklund, E. G. (Corresponding author) ; Ekeberg, T.CFEL*DESY* ; Moog, M. ; Benesch, J. L. P. ; Caleman, C. (Corresponding author)CFEL*DESY*

2017
ACS Washington, DC

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Please use a persistent id in citations: doi:10.1021/acs.jpclett.7b02005  doi:10.3204/PUBDB-2018-00439

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.

Note: © American Chemical Society

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Contributing Institute(s):

1. FS-CFEL-1 (Group Leader: Henry Chapman) (CFEL-I)
2. CFEL-Coherent X-Ray Imaging (FS-CFEL-1)

Research Program(s):

1. 6215 - Soft Matter, Health and Life Sciences (POF3-621) (POF3-621)

Experiment(s):

1. No specific instrument

Appears in the scientific report 2017

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Database coverage:
; ; Current Contents - Physical, Chemical and Earth Sciences ; IF >= 5 ; JCR ; NCBI Molecular Biology Database ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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