The global analysis of DEER data.

Journal of Magnetic Resonance
Suzanne BrandonEric J Hustedt

Abstract

Double Electron-Electron Resonance (DEER) has emerged as a powerful technique for measuring long range distances and distance distributions between paramagnetic centers in biomolecules. This information can then be used to characterize functionally relevant structural and dynamic properties of biological molecules and their macromolecular assemblies. Approaches have been developed for analyzing experimental data from standard four-pulse DEER experiments to extract distance distributions. However, these methods typically use an a priori baseline correction to account for background signals. In the current work an approach is described for direct fitting of the DEER signal using a model for the distance distribution which permits a rigorous error analysis of the fitting parameters. Moreover, this approach does not require a priori background correction of the experimental data and can take into account excluded volume effects on the background signal when necessary. The global analysis of multiple DEER data sets is also demonstrated. Global analysis has the potential to provide new capabilities for extracting distance distributions and additional structural parameters in a wide range of studies.

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Citations

Jul 15, 2016·Journal of Magnetic Resonance·Thomas H Edwards, Stefan Stoll
Jul 12, 2016·Nature Structural & Molecular Biology·Chloé MartensHassane S Mchaourab
Mar 4, 2017·The Journal of Physical Chemistry. a·Madhur SrivastavaJack H Freed
Jul 22, 2016·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Thomas SchmidtG Marius Clore
Dec 1, 2017·Physical Chemistry Chemical Physics : PCCP·Anna G MatveevaAlexander G Maryasov
Sep 15, 2016·Science Advances·Brett M KronckeCharles R Sanders
Jan 7, 2020·Physical Chemistry Chemical Physics : PCCP·Luis Fábregas Ibáñez, Gunnar Jeschke
Apr 26, 2019·Nucleic Acids Research·Giuseppe SicoliDennis Kurzbach
Dec 18, 2013·The Journal of Biological Chemistry·Sreevidya AluvilaKyoung Joon Oh
Aug 7, 2019·Proceedings of the National Academy of Sciences of the United States of America·Thomas SchmidtG Marius Clore
Mar 24, 2020·Science Advances·S WeickertM Drescher
May 10, 2020·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Thomas SchmidtG Marius Clore
Sep 18, 2020·Chemical Communications : Chem Comm·Thomas Schmidt, G Marius Clore
Jan 2, 2020·Biophysical Journal·Diego Del AlamoJens Meiler
Feb 8, 2018·Journal of Magnetic Resonance·Thomas H Edwards, Stefan Stoll
Apr 22, 2021·Physical Chemistry Chemical Physics : PCCP·Anna G MatveevaMichael K Bowman
Nov 4, 2017·The Journal of Physical Chemistry Letters·Madhur Srivastava, Jack H Freed
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Apr 2, 2020·The Journal of Physical Chemistry. B·Zhimin YangAndrzej Rajca
Nov 4, 2020·Journal of the American Chemical Society·Nicholas SherckSongi Han
Sep 17, 2021·The Journal of General Physiology·Eric J HustedtHassane S Mchaourab

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