Abstract:
:We report a "top-down" method that uses mainly duplexes' global orientations and overall molecular dimension and shape restraints, which were extracted from experimental NMR and small-angle X-ray scattering data, respectively, to determine global architectures of RNA molecules consisting of mostly A-form-like duplexes. The method is implemented in the G2G (from global measurement to global structure) toolkit of programs. We demonstrate the efficiency and accuracy of the method by determining the global structure of a 71-nt RNA using experimental data. The backbone root-mean-square deviation of the ensemble of the calculated global structures relative to the X-ray crystal structure is 3.0+/-0.3 A using the experimental data and is only 2.5+/-0.2 A for the three duplexes that were orientation restrained during the calculation. The global structure simplifies interpretation of multidimensional nuclear Overhauser spectra for high-resolution structure determination. The potential general application of the method for RNA structure determination is discussed.
journal_name
J Mol Bioljournal_title
Journal of molecular biologyauthors
Wang J,Zuo X,Yu P,Xu H,Starich MR,Tiede DM,Shapiro BA,Schwieters CD,Wang YXdoi
10.1016/j.jmb.2009.08.001subject
Has Abstractpub_date
2009-10-30 00:00:00pages
717-34issue
3eissn
0022-2836issn
1089-8638pii
S0022-2836(09)00983-8journal_volume
393pub_type
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