Literature DB >> 28660864

Reduction of small-angle scattering profiles to finite sets of structural invariants.

Jérôme Houdayer1, Frédéric Poitevin2.   

Abstract

This paper shows how small-angle scattering (SAS) curves can be decomposed in a simple sum using a set of invariant parameters called Kn which are related to the shape of the object of study. These Kn, together with a radius R, give a complete theoretical description of the SAS curve. Adding an overall constant, these parameters are easily fitted against experimental data giving a concise comprehensive description of the data. The pair distance distribution function is also entirely described by this invariant set and the Dmax parameter can be measured. In addition to the understanding they bring, these invariants can be used to reliably estimate structural moments beyond the radius of gyration, thereby rigorously expanding the actual set of model-free quantities one can extract from experimental SAS data, and possibly paving the way to designing new shape reconstruction strategies.

Keywords:  data reduction; small-angle scattering; structural invariants

Year:  2017        PMID: 28660864      PMCID: PMC5571748          DOI: 10.1107/S205327331700451X

Source DB:  PubMed          Journal:  Acta Crystallogr A Found Adv        ISSN: 2053-2733            Impact factor:   2.290


  24 in total

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5.  Simulated x-ray scattering of protein solutions using explicit-solvent models.

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Journal:  Biophys J       Date:  1998-06       Impact factor: 4.033

7.  Correlation Map, a goodness-of-fit test for one-dimensional X-ray scattering spectra.

Authors:  Daniel Franke; Cy M Jeffries; Dmitri I Svergun
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8.  Validating solution ensembles from molecular dynamics simulation by wide-angle X-ray scattering data.

Authors:  Po-Chia Chen; Jochen S Hub
Journal:  Biophys J       Date:  2014-07-15       Impact factor: 4.033

9.  SAXS ensemble refinement of ESCRT-III CHMP3 conformational transitions.

Authors:  Bartosz Różycki; Young C Kim; Gerhard Hummer
Journal:  Structure       Date:  2011-01-12       Impact factor: 5.006

10.  Angular correlations of photons from solution diffraction at a free-electron laser encode molecular structure.

Authors:  Derek Mendez; Herschel Watkins; Shenglan Qiao; Kevin S Raines; Thomas J Lane; Gundolf Schenk; Garrett Nelson; Ganesh Subramanian; Kensuke Tono; Yasumasa Joti; Makina Yabashi; Daniel Ratner; Sebastian Doniach
Journal:  IUCrJ       Date:  2016-09-26       Impact factor: 4.769

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