Compaction of RNA Hairpins and Their Kissing Complexes in Native Electrospray Mass Spectrometry

Compaction of RNA Hairpins and Their Kissing Complexes in Native Electrospray Mass Spectrometry

When electrosprayed from typical native MS solution conditions, RNA hairpins and kissing complexes acquire charge states at which they get significantly more compact in the gas phase than their initial structure in solution. Here, we also show the limits of using force field molecular dynamics to in...

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Bibliographic Details
Published in:Journal of the American Society for Mass Spectrometry Vol. 31; no. 10; pp. 2035 - 2043
Main Authors: Abi-Ghanem, Josephine, Rabin, Clémence, Porrini, Massimiliano, Rosu, Frédéric, Gabelica, Valérie
Format: Journal Article
Language:English
Published: American Chemical Society 07-10-2020
Subjects:
Analytical chemistry
Biochemistry
Biochemistry, Molecular Biology
Biological Physics
Biophysics
Chemical Physics
Chemical Sciences
Life Sciences
or physical chemistry
Physics
Structural Biology
Theoretical and
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Summary:When electrosprayed from typical native MS solution conditions, RNA hairpins and kissing complexes acquire charge states at which they get significantly more compact in the gas phase than their initial structure in solution. Here, we also show the limits of using force field molecular dynamics to interpret the structures of nucleic acid complexes in the gas phase, as the predicted CCS distributions do not fully match the experimental ones. We suggest that higher level calculation levels should be used in the future.
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ISSN:1044-0305
1879-1123
DOI:10.1021/jasms.0c00060