Dipolar Coupling between Nitroxide Spin Labels: The Development and Application of a Tether-in-a-Cone Model

A tether-in-a-cone model is developed for the simulation of electron paramagnetic resonance spectra of dipolar coupled nitroxide spin labels attached to tethers statically disordered within cones of variable halfwidth. In this model, the nitroxides adopt a range of interprobe distances and orientati...

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Bibliographic Details
Published in:Biophysical journal 2006-01, Vol.90 (1), p.340-356
Main Authors: Hustedt, Eric J., Stein, Richard A., Sethaphong, Latsavongsakda, Brandon, Suzanne, Zhou, Zheng, DeSensi, Susan C.
Format: Article
Language:English
Subjects:
Anisotropy
Bacteriophage T4 - enzymology
Biophysics
Biophysics - methods
Computer Simulation
Cyclic N-Oxides - chemistry
Electron Spin Resonance Spectroscopy
Fourier Analysis
Models, Statistical
Muramidase - chemistry
Nitric Oxide - chemistry
Nitrogen Oxides - chemistry
Normal Distribution
Software
Spectroscopy, Imaging, Other Techniques
Spin Labels
Thermodynamics
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Summary:A tether-in-a-cone model is developed for the simulation of electron paramagnetic resonance spectra of dipolar coupled nitroxide spin labels attached to tethers statically disordered within cones of variable halfwidth. In this model, the nitroxides adopt a range of interprobe distances and orientations. The aim is to develop tools for determining both the distance distribution and the relative orientation of the labels from experimental spectra. Simulations demonstrate the sensitivity of electron paramagnetic resonance spectra to the orientation of the cones as a function of cone halfwidth and other parameters. For small cone halfwidths (
ISSN:0006-3495
1542-0086
DOI:10.1529/biophysj.105.068544