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Heftberger P, Kollmitzer B, Heberle FA, et al. Global small-angle X-ray scattering data analysis for multilamellar vesicles: the evolution of the scattering density profile model. J Appl Crystallogr. 2013;47:173-180doi: 10.1107/S1600576713029798.
Heftberger, P., Kollmitzer, B., Heberle, F. A., Pan, J., Rappolt, M., Amenitsch, H., Kučerka, N., Katsaras, J., & Pabst, G. (2014). Global small-angle X-ray scattering data analysis for multilamellar vesicles: the evolution of the scattering density profile model. Journal of applied crystallography, 47173-180. https://doi.org/10.1107/S1600576713029798
Heftberger, Peter, et al. "Global small-angle X-ray scattering data analysis for multilamellar vesicles: the evolution of the scattering density profile model." Journal of applied crystallography vol. 47 (2014): 173-180. doi: https://doi.org/10.1107/S1600576713029798
Heftberger P, Kollmitzer B, Heberle FA, Pan J, Rappolt M, Amenitsch H, Kučerka N, Katsaras J, Pabst G. Global small-angle X-ray scattering data analysis for multilamellar vesicles: the evolution of the scattering density profile model. J Appl Crystallogr. 2013 Dec 25;47:173-180. doi: 10.1107/S1600576713029798. eCollection 2014 Feb 01. PMID: 24587787; PMCID: PMC3937811.
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J Appl Crystallogr. 2013 Dec 25;47:173-180. doi: 10.1107/S1600576713029798. eCollection 2014 Feb 01.

Global small-angle X-ray scattering data analysis for multilamellar vesicles: the evolution of the scattering density profile model.

Journal of applied crystallography

Peter Heftberger, Benjamin Kollmitzer, Frederick A Heberle, Jianjun Pan, Michael Rappolt, Heinz Amenitsch, Norbert Kučerka, John Katsaras, Georg Pabst

Affiliations

  1. Instiute of Molecular Biosciences, Biophysics Division, University of Graz, Austria.
  2. Biology and Soft Matter Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA.
  3. Biology and Soft Matter Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA ; Department of Physics, University of South Florida, Tampa, FL 33620, USA.
  4. Institute of Inorganic Chemistry, Graz University of Technology, Austria ; School of Food Science and Nutrition, University of Leeds, UK.
  5. Institute of Inorganic Chemistry, Graz University of Technology, Austria.
  6. Canadian Neutron Beam Centre, National Research Council, Chalk River, ON, Canada.
  7. Biology and Soft Matter Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA ; Joint Institute for Neutron Sciences, Oak Ridge, TN, USA ; Department of Physics and Astronomy, University of Tennessee, Knoxville, TN, USA ; Department of Physics, Brock University, St Catharines, ON, Canada.

PMID: 24587787 PMCID: PMC3937811 DOI: 10.1107/S1600576713029798

Abstract

The highly successful scattering density profile (SDP) model, used to jointly analyze small-angle X-ray and neutron scattering data from unilamellar vesicles, has been adapted for use with data from fully hydrated, liquid crystalline multilamellar vesicles (MLVs). Using a genetic algorithm, this new method is capable of providing high-resolution structural information, as well as determining bilayer elastic bending fluctuations from standalone X-ray data. Structural parameters such as bilayer thickness and area per lipid were determined for a series of saturated and unsaturated lipids, as well as binary mixtures with cholesterol. The results are in good agreement with previously reported SDP data, which used both neutron and X-ray data. The inclusion of deuterated and non-deuterated MLV neutron data in the analysis improved the lipid backbone information but did not improve, within experimental error, the structural data regarding bilayer thickness and area per lipid.

Keywords: genetic algorithms; liquid crystalline multilamellar vesicles; scattering density profile model; small-angle X-ray scattering

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