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Structure determination of noncanonical RNA motifs guided by 1H NMR chemical shifts

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Publication date 2014
Author Sripakdeevong Parin, Cevec Mirko, Chang Andrew T., Erat Michèle C., Ziegeler-Koschinat Melanie, Zhao Qin, Fox George E., Gao Xiaolian, Kennedy Scott D., Kierzek Ryszard, Nikonowicz Edward P., Schwalbe Harald, Sigel Roland K. O., Turner Douglas H., Das Rhiju,
Project Metal Ion-Guided Assembly and Structures of the Catalytic Core of Ribozymes
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Original article (peer-reviewed)

Journal Nature Methods
Volume (Issue) 11(4)
Page(s) 413 - 416
Title of proceedings Nature Methods
DOI 10.1038/nmeth.2876


Structured noncoding RNAs underlie fundamental cellular processes, but determining their three-dimensional structures remains challenging. We demonstrate that integrating 1H NMR chemical shift data with Rosetta de novo modeling can be used to consistently determine high-resolution RNA structures. On a benchmark set of 23 noncanonical RNA motifs, including 11 'blind' targets, chemical-shift Rosetta for RNA (CS-Rosetta-RNA) recovered experimental structures with high accuracy (0.6–2.0 Å all-heavy-atom r.m.s. deviation) in 18 cases.