A software framework for analysing solid-state MAS NMR data

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A software framework for analysing solid-state MAS NMR data


Abstract Solid-state magic-angle-spinning (MAS) NMR of proteins has undergone many rapid methodological developments in recent years, enabling detailed studies of protein structure, function and dynamics. Software development, however, has not kept pace with these advances and data analysis is mostly performed using tools developed for solution NMR which do not directly address solid-state specific issues. Here we present additions to the CcpNmr Analysis software package which enable easier identification of spinning side bands, straightforward analysis of double quantum spectra, automatic consideration of non-uniform labelling schemes, as well as extension of other existing features to the needs of solid-state MAS data. To underpin this, we have updated and extended the CCPN data model and experiment descriptions to include transfer types and nomenclature appropriate for solid-state NMR experiments, as well as a set of experiment prototypes covering the experiments commonly employed by solid-sate MAS protein NMR spectroscopists. This work not only improves solid-state MAS NMR data analysis but provides a platform for anyone who uses the CCPN data model for programming, data transfer, or data archival involving solid-state MAS NMR data.

• Content Type Journal Article
• Category Article
• Pages 1-11
• DOI 10.1007/s10858-011-9569-2
• Authors
  • Tim J. Stevens, Department of Biochemistry, University of Cambridge, Cambridge, CB2 1GA UK
  • Rasmus H. Fogh, Department of Biochemistry, University of Cambridge, Cambridge, CB2 1GA UK
  • Wayne Boucher, Department of Biochemistry, University of Cambridge, Cambridge, CB2 1GA UK
  • Victoria A. Higman, Department of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU UK
  • Frank Eisenmenger, Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125 Berlin, Germany
  • Benjamin Bardiaux, Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125 Berlin, Germany
  • Barth-Jan van Rossum, Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125 Berlin, Germany
  • Hartmut Oschkinat, Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125 Berlin, Germany
  • Ernest D. Laue, Department of Biochemistry, University of Cambridge, Cambridge, CB2 1GA UK

• • Journal Journal of Biomolecular NMR
  • Online ISSN 1573-5001
  • Print ISSN 0925-2738

Source: Journal of Biomolecular NMR