Publication Date:
2013-04-27
Description:
Modern small-angle scattering (SAS) experiments with X-rays or neutrons provide a comprehensive, resolution-limited observation of the thermodynamic state. However, methods for evaluating mass and validating SAS-based models and resolution have been inadequate. Here we define the volume of correlation, Vc, a SAS invariant derived from the scattered intensities that is specific to the structural state of the particle, but independent of concentration and the requirements of a compact, folded particle. We show that Vc defines a ratio, QR, that determines the molecular mass of proteins or RNA ranging from 10 to 1,000 kilodaltons. Furthermore, we propose a statistically robust method for assessing model-data agreements (chi(2)free) akin to cross-validation. Our approach prevents over-fitting of the SAS data and can be used with a newly defined metric, RSAS, for quantitative evaluation of resolution. Together, these metrics (Vc, QR, chi(2)free and RSAS) provide analytical tools for unbiased and accurate macromolecular structural characterizations in solution.〈br /〉〈br /〉〈a href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3714217/" target="_blank"〉〈img src="https://static.pubmed.gov/portal/portal3rc.fcgi/4089621/img/3977009" border="0"〉〈/a〉 〈a href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3714217/" target="_blank"〉This paper as free author manuscript - peer-reviewed and accepted for publication〈/a〉〈br /〉〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Rambo, Robert P -- Tainer, John A -- R01 GM105404/GM/NIGMS NIH HHS/ -- R01GM105404/GM/NIGMS NIH HHS/ -- England -- Nature. 2013 Apr 25;496(7446):477-81. doi: 10.1038/nature12070.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Life Sciences Division, Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA. rprambo@lbl.gov〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/23619693" target="_blank"〉PubMed〈/a〉
Keywords:
Aldose-Ketose Isomerases/chemistry
;
DNA-Binding Proteins/chemistry
;
Models, Chemical
;
*Models, Molecular
;
Molecular Conformation
;
Molecular Weight
;
Pliability
;
RNA, Viral/chemistry
;
Reproducibility of Results
;
Riboswitch/genetics
;
*Scattering, Small Angle
;
Solutions
Print ISSN:
0028-0836
Electronic ISSN:
1476-4687
Topics:
Biology
,
Chemistry and Pharmacology
,
Medicine
,
Natural Sciences in General
,
Physics
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