Small‐angle scattering contrast calculator for protein and nucleic acid complexes in solution. (10th November 2013)

• Record Type: Journal Article
• Authors: Sarachan, Kathryn L.; Curtis, Joseph E.; Krueger, Susan
• Is Part Of: Journal of applied crystallography. Volume 46:Part 6(2013:Dec.)
• Page Start: 1889
• Page End: 1893
• Publication Date: 2013-11-10
• Subjects: Crystallography -- Periodicals; 548.05
• DOI: 10.1107/S0021889813025727
• Languages: English
• ISSNs: 0021-8898

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>Small‐angle neutron scattering (SANS) with contrast variation can provide useful information about the structure and disposition of two or more chemically distinct components within a complex. The <italic>SASSIE Contrast Calculator</italic> (<italic>SCC</italic>) is a new software tool designed to assist in planning SANS experiments with contrast variation on protein and nucleic acid complexes. On the basis of the primary sequence and deuteration level of each protein or nucleic acid component, the <italic>SCC</italic> calculates and plots <italic>I</italic>(0), contrast and scattering length densities; since SANS experiments often complement small‐angle X‐ray scattering studies, the program provides both neutron and X‐ray parameters. The <italic>SCC</italic> is run as an integrated component of <italic>SASSIE</italic> [Curtis, Raghunandan, Nanda &amp; Krueger (2012). <italic>Comput. Phys. Commun.</italic><bold>183</bold>, 382–389], a software suite for atomistic modeling of ensembles of structures consistent with scattering data.</p> </abstract>