Global small-angle scattering data analysis of inverted hexagonal phases

Moritz P.K. Frewein, Michael Rumetshofer, Georg Pabst*

*Corresponding author for this work

Research output: Contribution to journalArticle

Abstract

A global analysis model has been developed for randomly oriented, fully hydrated, inverted hexagonal (H II ) phases formed by many amphiphiles in aqueous solution, including membrane lipids. The model is based on a structure factor for hexagonally packed rods and a compositional model for the scattering length density, enabling also the analysis of positionally weakly correlated H II phases. Bayesian probability theory was used for optimization of the adjustable parameters, which allows parameter correlations to be retrieved in much more detail than standard analysis techniques and thereby enables a realistic error analysis. The model was applied to different phosphatidylethanolamines, including previously unreported H II data for diC14:0 and diC16:1 phosphatidylethanolamine. The extracted structural features include intrinsic lipid curvature, hydrocarbon chain length and area per lipid at the position of the neutral plane.

Original languageEnglish
Pages (from-to)403-414
Number of pages12
JournalJournal of applied crystallography
Volume52
Issue number2
DOIs
Publication statusPublished - 1 Apr 2019

Keywords

  • Bayesian analysis
  • full-q-range analysis
  • intrinsic curvature
  • inverted hexagonal phases
  • phospholipids

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

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