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Collision cross sections for structural proteomics.

Marklund, E.G. and Degiacomi, M.T. and Robinson, C.V. and Baldwin, A.J. and Benesch, J.L.P. (2015) 'Collision cross sections for structural proteomics.', Structure., 23 (4). pp. 791-799.


Ion mobility mass spectrometry (IM-MS) allows the structural interrogation of biomolecules by reporting their collision cross sections (CCSs). The major bottleneck for exploiting IM-MS in structural proteomics lies in the lack of speed at which structures and models can be related to experimental data. Here we present IMPACT (Ion Mobility Projection Approximation Calculation Tool), which overcomes these twin challenges, providing accurate CCSs up to 106 times faster than alternative methods. This allows us to assess the CCS space presented by the entire structural proteome, interrogate ensembles of protein conformers, and monitor molecular dynamics trajectories. Our data demonstrate that the CCS is a highly informative parameter and that IM-MS is of considerable practical value to structural biologists.

Item Type:Article
Full text:(AM) Accepted Manuscript
Available under License - Creative Commons Attribution Non-commercial No Derivatives.
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Publisher statement:© 2015 This manuscript version is made available under the CC-BY-NC-ND 4.0 license
Date accepted:18 February 2015
Date deposited:21 August 2017
Date of first online publication:19 March 2015
Date first made open access:No date available

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