Journal of Biomolecular NMR

, 36:215

A suite of Mathematica notebooks for the analysis of protein main chain 15N NMR relaxation data

Article

DOI: 10.1007/s10858-006-9083-0

Cite this article as:
Spyracopoulos, L. J Biomol NMR (2006) 36: 215. doi:10.1007/s10858-006-9083-0
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Abstract

A suite of Mathematica notebooks has been designed to ease the analysis of protein main chain 15N NMR relaxation data collected at a single magnetic field strength. Individual notebooks were developed to perform the following tasks: nonlinear fitting of 15N-T1 and -T2 relaxation decays to a two parameter exponential decay, calculation of the principal components of the inertia tensor from protein structural coordinates, nonlinear optimization of the principal components and orientation of the axially symmetric rotational diffusion tensor, model-free analysis of 15N-T1, -T2, and {1H}–15N NOE data, and reduced spectral density analysis of the relaxation data. The principle features of the notebooks include use of a minimal number of input files, integrated notebook data management, ease of use, cross-platform compatibility, automatic visualization of results and generation of high-quality graphics, and output of analyses in text format.

Keywords

model-free analysis 15N NMR relaxation protein dynamics 

Abbreviations

AIC

Akaike’s information criteria.

Copyright information

© Springer Science+Business Media B.V. 2006

Authors and Affiliations

  1. 1.Department of BiochemistryUniversity of AlbertaEdmontonCanada

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