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Chemistry. 2015 Aug 24;21(35):12363-9. doi: 10.1002/chem.201502544. Epub 2015 Jul 28.

Non-Uniform Sampling and J-UNIO Automation for Efficient Protein NMR Structure Determination.

Author information

1
Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037 (USA) http://www.jcsg.org.
2
Joint Center for Structural Genomics, La Jolla, CA 92037 (USA), Fax: (+1) 858-784-8014.
3
GPCR-Network, 3430 S. Vermont Ave., TRF 105, Los Angeles, CA 90089-3301 (USA), Fax: (+1) 858-784-8014 http://gpcr.usc.edu.
4
Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037 (USA) http://www.jcsg.org. wuthrich@scripps.edu, wuthrich@scripps.edu, wuthrich@scripps.edu.
5
Joint Center for Structural Genomics, La Jolla, CA 92037 (USA), Fax: (+1) 858-784-8014. wuthrich@scripps.edu, wuthrich@scripps.edu, wuthrich@scripps.edu.
6
GPCR-Network, 3430 S. Vermont Ave., TRF 105, Los Angeles, CA 90089-3301 (USA), Fax: (+1) 858-784-8014 http://gpcr.usc.edu. wuthrich@scripps.edu, wuthrich@scripps.edu, wuthrich@scripps.edu.
7
Skaggs Institute for Chemical Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037 (USA), Fax: (+1) 858-784-8014. wuthrich@scripps.edu, wuthrich@scripps.edu, wuthrich@scripps.edu.

Abstract

High-resolution structure determination of small proteins in solution is one of the big assets of NMR spectroscopy in structural biology. Improvements in the efficiency of NMR structure determination by advances in NMR experiments and automation of data handling therefore attracts continued interest. Here, non-uniform sampling (NUS) of 3D heteronuclear-resolved [(1)H,(1)H]-NOESY data yielded two- to three-fold savings of instrument time for structure determinations of soluble proteins. With the 152-residue protein NP_372339.1 from Staphylococcus aureus and the 71-residue protein NP_346341.1 from Streptococcus pneumonia we show that high-quality structures can be obtained with NUS NMR data, which are equally well amenable to robust automated analysis as the corresponding uniformly sampled data.

KEYWORDS:

J-UNIO structure determination protocol; NMR spectroscopy; automated data analysis; compressed sensing; proteins

PMID:
26227870
PMCID:
PMC4576834
DOI:
10.1002/chem.201502544
[Indexed for MEDLINE]
Free PMC Article

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