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Title: Optimization of Pulsed-DEER Measurements for Gd-Based Labels: Choice of Operational Frequencies, Pulse Durations and Positions, and Temperature

Abstract

In this work, the experimental conditions and parameters necessary to optimize the long-distance (≥ 60 Å) Double Electron-Electron Resonance (DEER) measurements of biomacromolecules labeled with Gd(III) tags are analyzed. The specific parameters discussed are the temperature, microwave band, the separation between the pumping and observation frequencies, pulse train repetition rate, pulse durations and pulse positioning in the electron paramagnetic resonance spectrum. It was found that: (i) in optimized DEER measurements, the observation pulses have to be applied at the maximum of the EPR spectrum; (ii) the optimal temperature range for Ka-band measurements is 14-17 K, while in W-band the optimal temperatures are between 6-9 K; (iii) W-band is preferable to Ka-band for DEER measurements. Recent achievements and the conditions necessary for short-distance measurements (<15 Å) are also briefly discussed.

Authors:
; ; ; ; ; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
Sponsoring Org.:
USDOE
OSTI Identifier:
1079116
Report Number(s):
PNNL-SA-91299
Journal ID: ISSN 0937-9347; 44607; KP1704020
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Applied Magnetic Resonance
Additional Journal Information:
Journal Volume: 44; Journal Issue: 6; Journal ID: ISSN 0937-9347
Country of Publication:
United States
Language:
English
Subject:
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY; Environmental Molecular Sciences Laboratory

Citation Formats

Raitsimring, A., Astashkin, A. V., Enemark, J. H., Kaminker, I., Goldfarb, D., Walter, E. D., Song, Y., and Meade, T. J. Optimization of Pulsed-DEER Measurements for Gd-Based Labels: Choice of Operational Frequencies, Pulse Durations and Positions, and Temperature. United States: N. p., 2012. Web. doi:10.1007/s00723-012-0434-6.
Raitsimring, A., Astashkin, A. V., Enemark, J. H., Kaminker, I., Goldfarb, D., Walter, E. D., Song, Y., & Meade, T. J. Optimization of Pulsed-DEER Measurements for Gd-Based Labels: Choice of Operational Frequencies, Pulse Durations and Positions, and Temperature. United States. https://doi.org/10.1007/s00723-012-0434-6
Raitsimring, A., Astashkin, A. V., Enemark, J. H., Kaminker, I., Goldfarb, D., Walter, E. D., Song, Y., and Meade, T. J. 2012. "Optimization of Pulsed-DEER Measurements for Gd-Based Labels: Choice of Operational Frequencies, Pulse Durations and Positions, and Temperature". United States. https://doi.org/10.1007/s00723-012-0434-6.
@article{osti_1079116,
title = {Optimization of Pulsed-DEER Measurements for Gd-Based Labels: Choice of Operational Frequencies, Pulse Durations and Positions, and Temperature},
author = {Raitsimring, A. and Astashkin, A. V. and Enemark, J. H. and Kaminker, I. and Goldfarb, D. and Walter, E. D. and Song, Y. and Meade, T. J.},
abstractNote = {In this work, the experimental conditions and parameters necessary to optimize the long-distance (≥ 60 Å) Double Electron-Electron Resonance (DEER) measurements of biomacromolecules labeled with Gd(III) tags are analyzed. The specific parameters discussed are the temperature, microwave band, the separation between the pumping and observation frequencies, pulse train repetition rate, pulse durations and pulse positioning in the electron paramagnetic resonance spectrum. It was found that: (i) in optimized DEER measurements, the observation pulses have to be applied at the maximum of the EPR spectrum; (ii) the optimal temperature range for Ka-band measurements is 14-17 K, while in W-band the optimal temperatures are between 6-9 K; (iii) W-band is preferable to Ka-band for DEER measurements. Recent achievements and the conditions necessary for short-distance measurements (<15 Å) are also briefly discussed.},
doi = {10.1007/s00723-012-0434-6},
url = {https://www.osti.gov/biblio/1079116}, journal = {Applied Magnetic Resonance},
issn = {0937-9347},
number = 6,
volume = 44,
place = {United States},
year = {Sat Dec 29 00:00:00 EST 2012},
month = {Sat Dec 29 00:00:00 EST 2012}
}