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Hyper-dimensional NMR spectroscopy with nonlinear sampling

Artikel i vetenskaplig tidskrift
Författare Victor Jaravine
Anastasia Zhuravleva
P. Permi
I. Ibraghimov
Vladislav Orekhov
Publicerad i Journal of the American Chemical Society
Volym 130
Nummer/häfte 12
Sidor 3927-3936
Publiceringsår 2008
Publicerad vid Svenskt NMR-centrum vid Göteborgs universitet
Sidor 3927-3936
Språk en
Ämneskategorier Strukturbiologi, Cell- och molekylärbiologi

Sammanfattning

An approach is described for joint interleaved recording, real-time processing, and analysis of NMR data sets. The method employs multidimensional decomposition to find common information in a set of conventional triple-resonance spectra recorded in the nonlinear sampling mode, and builds a model of hyperdimensional (HD) spectrum. While preserving sensitivity per unit of measurement time and allowing for maximal spectral resolution, the approach reduces data collection time on average by 2 orders of magnitude compared to the conventional method. The 7-10 dimensional HD spectrum, which is represented as a set of deconvoluted 1D vectors, is easy to handle and amenable for automated analysis. The method is exemplified by automated assignment for two protein systems of low and high spectral complexity: ubiquitin (globular, 8 kDa) and cyt (naturally disordered, 13 kDa). The collection and backbone assignment of the data sets are achieved in real time after approximately 1 and 10 h, respectively. The approach removes the most critical time bottlenecks in data acquisition and analysis. Thus, it can significantly increase the value of NMR spectroscopy in structural biology, for example, in high-throughput structural genomics applications.

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