Publikation:

How accurately defined are the overtone coefficients in Gd(III)-Gd(III) RIDME?

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2022

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Qi, Mian
Godt, Adelheid
Yulikov, Maxim

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Journal of Magnetic Resonance (JMR). Elsevier. 2022, 339, 107217. ISSN 1090-7807. eISSN 1096-0856. Available under: doi: 10.1016/j.jmr.2022.107217

Zusammenfassung

Relaxation-induced dipolar modulation enhancement (RIDME) is a pulse EPR technique that is particularly suitable to determine distances between paramagnetic centers with a broad EPR spectrum, e.g. metal-ion-based ones. As far as high-spin systems (S > ½) are concerned, the RIDME experiment provides not only the basic dipolar frequency but also its overtones, which complicates the determination of interspin distances. Here, we present and discuss in a step-by-step fashion an r.m.s.d.-based approach for the calibration of the overtone coefficients for a series of molecular rulers doubly labeled with Gd(III)-PyMTA tags. The constructed 2D total-penalty diagrams help revealing that there is no unique set of overtone coefficients but rather a certain pool, which can be used to extract distance distributions between high-spin paramagnetic centers, as determined from the RIDME experiment. This is of particular importance for comparing RIDME overtone calibration and distance distributions obtained in different labs.

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540 Chemie

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ISO 690AZARKH, Mykhailo, Katharina KELLER, Mian QI, Adelheid GODT, Maxim YULIKOV, 2022. How accurately defined are the overtone coefficients in Gd(III)-Gd(III) RIDME?. In: Journal of Magnetic Resonance (JMR). Elsevier. 2022, 339, 107217. ISSN 1090-7807. eISSN 1096-0856. Available under: doi: 10.1016/j.jmr.2022.107217
BibTex
@article{Azarkh2022-04-09accur-57704,
  year={2022},
  doi={10.1016/j.jmr.2022.107217},
  title={How accurately defined are the overtone coefficients in Gd(III)-Gd(III) RIDME?},
  volume={339},
  issn={1090-7807},
  journal={Journal of Magnetic Resonance (JMR)},
  author={Azarkh, Mykhailo and Keller, Katharina and Qi, Mian and Godt, Adelheid and Yulikov, Maxim},
  note={Article Number: 107217}
}
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