Journal ArticleDOI
Membrane-protein structure determination by solid-state NMR spectroscopy of microcrystals.
Shakeel A. Shahid,Shakeel A. Shahid,Benjamin Bardiaux,W. Trent Franks,Ludwig Krabben,Ludwig Krabben,Michael Habeck,Barth-Jan van Rossum,Dirk Linke +8 more
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TLDR
This work presents the solid-state NMR structure of the transmembrane domain of the Yersinia enterocolitica adhesin A (YadA), and acquires information on the flexibility and mobility of parts of the structure, which presents new insights into the autotransport mechanism of YadA.Abstract:
Membrane proteins are largely underrepresented among available atomic-resolution structures. The use of detergents in protein purification procedures hinders the formation of well-ordered crystals for X-ray crystallography and leads to slower molecular tumbling, impeding the application of solution-state NMR. Solid-state magic-angle spinning NMR spectroscopy is an emerging method for membrane-protein structural biology that can overcome these technical problems. Here we present the solid-state NMR structure of the transmembrane domain of the Yersinia enterocolitica adhesin A (YadA). The sample was derived from crystallization trials that yielded only poorly diffracting microcrystals. We solved the structure using a single, uniformly (13)C- and (15)N-labeled sample. In addition, solid-state NMR allowed us to acquire information on the flexibility and mobility of parts of the structure, which, in combination with evolutionary conservation information, presents new insights into the autotransport mechanism of YadA.read more
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Book ChapterDOI
The strengths and weaknesses of NMR spectroscopy and mass spectrometry with particular focus on metabolomics research.
TL;DR: In this chapter, the advantages, limitations, strengths, and weaknesses of NMR and MS as tools applicable to metabolomics research are highlighted.
Journal ArticleDOI
Dynamic nuclear polarization for sensitivity enhancement in modern solid-state NMR.
TL;DR: This review provides an in-depth overview of the relevant topics involved in DNP-enhanced MAS NMR spectroscopy and underlines that MAS DNP has moved far beyond the proof-of-concept stage and has become an important tool for research in these fields.
Inferential Structure Determination
Wolfgang Rieping,Michael Habeck +1 more
TL;DR: In this paper, the authors used Bayesian inference to derive a probability distribution that represents the unknown structure and its precision, and implemented this approach by using Markov chain Monte Carlo techniques.
Journal ArticleDOI
Rapid Proton-Detected NMR Assignment for Proteins with Fast Magic Angle Spinning
Emeline Barbet-Massin,Andrew J. Pell,J. Retel,Loren B. Andreas,Loren B. Andreas,Kristaps Jaudzems,W. Trent Franks,Andrew J. Nieuwkoop,Matthias Hiller,Victoria A. Higman,Paul Guerry,Andrea Bertarello,Michael J. Knight,Michele Felletti,Tanguy Le Marchand,Svetlana Kotelovica,I. Akopjana,Kaspars Tars,Monica Stoppini,Vittorio Bellotti,Vittorio Bellotti,Martino Bolognesi,Stefano Ricagno,James J. Chou,Robert G. Griffin,Hartmut Oschkinat,Anne Lesage,Lyndon Emsley,Torsten Herrmann,Guido Pintacuda +29 more
TL;DR: This approach facilitates and accelerates the MAS NMR assignment process, shortening the spectral acquisition times and enabling the use of unsupervised state-of-the-art computational data analysis protocols originally developed for solution NMR.
References
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