title: Non-Uniform Sampling and J-UNIO Automation for Efficient Protein NMR Structure Determination.
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.
authors.affiliation: 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.|Joint Center for Structural Genomics, La Jolla, CA 92037 (USA), Fax: (+1) 858-784-8014.|GPCR-Network, 3430 S. Vermont Ave., TRF 105, Los Angeles, CA 90089-3301 (USA), Fax: (+1) 858-784-8014 http://gpcr.usc.edu.
authors.forename: Tatiana
authors.initials: T
authors.lastname: Didenko
authors.affiliation: 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.|Joint Center for Structural Genomics, La Jolla, CA 92037 (USA), Fax: (+1) 858-784-8014.
authors.forename: Andrew
authors.initials: A
authors.lastname: Proudfoot
authors.affiliation: 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.|Joint Center for Structural Genomics, La Jolla, CA 92037 (USA), Fax: (+1) 858-784-8014.
authors.forename: Samit Kumar
authors.initials: SK
authors.lastname: Dutta
authors.affiliation: 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.|Joint Center for Structural Genomics, La Jolla, CA 92037 (USA), Fax: (+1) 858-784-8014.
authors.forename: Pedro
authors.initials: P
authors.lastname: Serrano
authors.affiliation: 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.|Joint Center for Structural Genomics, La Jolla, CA 92037 (USA), Fax: (+1) 858-784-8014. wuthrich@scripps.edu, wuthrich@scripps.edu, wuthrich@scripps.edu.|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.|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.
authors.forename: Kurt
authors.initials: K
authors.lastname: Wüthrich
mesh_terms: D000818:Animals; D001426:Bacterial Proteins / Q000737:chemistry*; D001686:Biological Phenomena; D009682:Magnetic Resonance Spectroscopy; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D011487:Protein Conformation; D012996:Solutions / Q000737:chemistry*; D013211:Staphylococcus aureus / Q000737:chemistry*; D049881:Unio
chemical_list: D001426:Bacterial Proteins; D012996:Solutions
keywords: J-UNIO structure determination protocol; NMR spectroscopy; automated data analysis; compressed sensing; proteins