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The Quest for Simplicity: Remarks on the Free-Approach Models

Jaremko, Łukasz and Jaremko, Mariusz and Nowakowski, Michał and Ejchart, Andrzej (2015) The Quest for Simplicity: Remarks on the Free-Approach Models. Journal of Physical Chemistry B, 2015 (119). pp. 11978-11987. ISSN 1520-6106

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Official URL: http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.5b071...


Nuclear magnetic relaxation provides a powerful method giving insight into molecular motions at the atomic resolution on a broad time scale. Dynamics of biological macromolecules has been widely exploited by measuring 15N and 13C relaxation data. Interpretation of these data relies almost exclusively on the use of the model-free approach (MFA) and its extended version (EMFA) which requires no particular physical model of motion and a small number of parameters. It is shown that EMFA is often unable to cope with three different time scales and fails to describe slow internal motions properly. In contrast to EMFA, genuine MFA with two time scales can reproduce internal motions slower than the overall tumbling. It is also shown that MFA and simplified EMFA are equivalent with respect to the values of the N-H bond length and chemical shift anisotropy. Therefore, the vast majority of 15N relaxation data for proteins can be satisfactorily interpreted solely with MFA.

Item Type:Article
Subjects:Q Science > QD Chemistry
Divisions:NMR Laboratory
ID Code:1013
Deposited By: professor Andrzej Ejchart
Deposited On:10 Nov 2015 14:55
Last Modified:10 Nov 2015 14:55

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