A software framework for analysing solid-state MAS NMR data.
J Biomol NMR. 2011 Sep 28;
Authors: Stevens TJ, Fogh RH, Boucher W, Higman VA, Eisenmenger F, Bardiaux B, van Rossum BJ, Oschkinat H, Laue ED
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.
PMID: 21953355 [PubMed - as supplied by publisher]
A software framework for analysing solid-state MAS NMR data
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...
nmrlearner
Journal club
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09-30-2011 08:01 PM
A software framework for analysing solid-state MAS NMR data.
A software framework for analysing solid-state MAS NMR data.
A software framework for analysing solid-state MAS NMR data.
J Biomol NMR. 2011 Sep 28;
Authors: Stevens TJ, Fogh RH, Boucher W, Higman VA, Eisenmenger F, Bardiaux B, van Rossum BJ, Oschkinat H, Laue ED
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...
nmrlearner
Journal club
0
09-30-2011 05:59 AM
High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data
High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data
Abstract X-ray diffraction and nuclear magnetic resonance spectroscopy (NMR) are the staple methods for revealing atomic structures of proteins. Since crystals of biomolecular assemblies and membrane proteins often diffract weakly and such large systems encroach upon the molecular tumbling limit of solution NMR, new methods are essential to extend structures of such systems to high resolution. Here we present a method that incorporates solid-state NMR restraints alongside...
nmrlearner
Journal club
0
09-26-2011 06:42 AM
High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data.
High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data.
High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data.
J Biomol NMR. 2011 Sep 22;
Authors: Tang M, Sperling LJ, Berthold DA, Schwieters CD, Nesbitt AE, Nieuwkoop AJ, Gennis RB, Rienstra CM
Abstract
X-ray diffraction and nuclear magnetic resonance spectroscopy (NMR) are the staple methods for revealing atomic structures of proteins. Since crystals of biomolecular...
nmrlearner
Journal club
0
09-23-2011 05:30 PM
[NMR Sparky Yahoo group] Re: Solid State Data and strip plots
Re: Solid State Data and strip plots
Hi Andrew, It might be difficult to get the Sparky spin graph assigner to do anything useful for your data. It was designed to create protein backbone walks
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nmrlearner
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05-20-2011 09:04 AM
[NMR Sparky Yahoo group] Solid State Data and strip plots
Solid State Data and strip plots
Hello all, I would like to make some strip plots in sparky using Solid-state data. While this may be done manually, I would very much prefer to use the spin
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nmrlearner
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05-17-2011 08:40 PM
[NMRpipe Yahoo group] TALOS+ for Solid State Data
TALOS+ for Solid State Data
Dear Pipers, Greetings, and Happy 2011 ... Many of you will already be familiar with the TALOS system for predicting protein backbone angles using chemical
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01-05-2011 11:40 PM
[NMR paper] Simultaneous processing of solid-state NMR relaxation and 1D-MAS exchange data: the b
Simultaneous processing of solid-state NMR relaxation and 1D-MAS exchange data: the backbone dynamics of free vs. binase-bound barstar.
Related Articles Simultaneous processing of solid-state NMR relaxation and 1D-MAS exchange data: the backbone dynamics of free vs. binase-bound barstar.
Biochim Biophys Acta. 2003 Aug 21;1650(1-2):117-27
Authors: Krushelnitsky AG, Hempel G, Reichert D
Two types of dynamic solid-state NMR experiments-relaxation and 1D-MAS exchange-were combined for the investigation of the backbone dynamics of a 15% randomly...
A software framework for analysing solid-state MAS NMR data.
Linear Mode
