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XLSY: Extra‐Large NMR Spectroscopy
Author(s) -
Pustovalova Yulia,
Mayzel Maxim,
Orekhov Vladislav Yu.
Publication year - 2018
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201806144
Subject(s) - curse of dimensionality , nuclear magnetic resonance spectroscopy , nmr spectra database , sampling (signal processing) , spectroscopy , toolbox , spectral line , computer science , chemistry , biological system , nuclear magnetic resonance , statistical physics , physics , artificial intelligence , optics , biology , quantum mechanics , astronomy , detector , programming language
NMR studies of intrinsically disordered proteins and other complex biomolecular systems require spectra with the highest resolution and dimensionality. An efficient approach, extra‐large NMR spectroscopy, is presented for experimental data collection, reconstruction, and handling of very large NMR spectra by a combination of the radial and non‐uniform sampling, a new processing algorithm, and rigorous statistical validation. We demonstrate the first high‐quality reconstruction of a full seven‐dimensional HNCOCACONH and two five‐dimensional HACACONH and HN(CA)CONH experiments for a representative intrinsically disordered protein α‐synuclein. XLSY will significantly enhance the NMR toolbox in challenging biomolecular studies.