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Title: Memprot: a program to model the detergent corona around a membrane protein based on SEC–SAXS data

Abstract

Systematic SAXS simulations have been analysed over a wide range of parameters in order to better understand the detergent corona around a membrane protein. The application of small-angle X-ray scattering (SAXS) to structural investigations of transmembrane proteins in detergent solution has been hampered by two main inherent hurdles. On the one hand, the formation of a detergent corona around the hydrophobic region of the protein strongly modifies the scattering curve of the protein. On the other hand, free micelles of detergent without a precisely known concentration coexist with the protein–detergent complex in solution, therefore adding an uncontrolled signal. To gain robust structural information on such systems from SAXS data, in previous work, advantage was taken of the online combination of size-exclusion chromatography (SEC) and SAXS, and the detergent corona around aquaporin-0, a membrane protein of known structure, could be modelled. A precise geometrical model of the corona, shaped as an elliptical torus, was determined. Here, in order to better understand the correlations between the corona model parameters and to discuss the uniqueness of the model, this work was revisited by analyzing systematic SAXS simulations over a wide range of parameters of the torus.

Authors:
 [1];  [2];  [3]
  1. Synchrotron SOLEIL, L’Orme des Merisiers, BP 48, Saint-Aubin, 91192 Gif-sur-Yvette (France)
  2. Forschungszentrum Jülich GmbH, Outstation at MLZ, Lichtenbergstrasse 1, 85747 Garching (Germany)
  3. (France)
Publication Date:
OSTI Identifier:
22347740
Resource Type:
Journal Article
Resource Relation:
Journal Name: Acta Crystallographica. Section D: Biological Crystallography; Journal Volume: 71; Journal Issue: Pt 1; Other Information: PMCID: PMC4304689; PMID: 25615863; PUBLISHER-ID: ba5222; OAI: oai:pubmedcentral.nih.gov:4304689; Copyright (c) Pérez & Koutsioubas 2015; This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
Denmark
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CORRELATIONS; DIAGRAMS; MATHEMATICAL SOLUTIONS; MEMBRANE PROTEINS; SIGNALS; SIMULATION; SMALL ANGLE SCATTERING; SOLUTIONS

Citation Formats

Pérez, Javier, E-mail: javier.perez@synchrotron-soleil.fr, Koutsioubas, Alexandros, and Synchrotron SOLEIL, L’Orme des Merisiers, BP 48, Saint-Aubin, 91192 Gif-sur-Yvette. Memprot: a program to model the detergent corona around a membrane protein based on SEC–SAXS data. Denmark: N. p., 2015. Web. doi:10.1107/S1399004714016678.
Pérez, Javier, E-mail: javier.perez@synchrotron-soleil.fr, Koutsioubas, Alexandros, & Synchrotron SOLEIL, L’Orme des Merisiers, BP 48, Saint-Aubin, 91192 Gif-sur-Yvette. Memprot: a program to model the detergent corona around a membrane protein based on SEC–SAXS data. Denmark. doi:10.1107/S1399004714016678.
Pérez, Javier, E-mail: javier.perez@synchrotron-soleil.fr, Koutsioubas, Alexandros, and Synchrotron SOLEIL, L’Orme des Merisiers, BP 48, Saint-Aubin, 91192 Gif-sur-Yvette. Thu . "Memprot: a program to model the detergent corona around a membrane protein based on SEC–SAXS data". Denmark. doi:10.1107/S1399004714016678.
@article{osti_22347740,
title = {Memprot: a program to model the detergent corona around a membrane protein based on SEC–SAXS data},
author = {Pérez, Javier, E-mail: javier.perez@synchrotron-soleil.fr and Koutsioubas, Alexandros and Synchrotron SOLEIL, L’Orme des Merisiers, BP 48, Saint-Aubin, 91192 Gif-sur-Yvette},
abstractNote = {Systematic SAXS simulations have been analysed over a wide range of parameters in order to better understand the detergent corona around a membrane protein. The application of small-angle X-ray scattering (SAXS) to structural investigations of transmembrane proteins in detergent solution has been hampered by two main inherent hurdles. On the one hand, the formation of a detergent corona around the hydrophobic region of the protein strongly modifies the scattering curve of the protein. On the other hand, free micelles of detergent without a precisely known concentration coexist with the protein–detergent complex in solution, therefore adding an uncontrolled signal. To gain robust structural information on such systems from SAXS data, in previous work, advantage was taken of the online combination of size-exclusion chromatography (SEC) and SAXS, and the detergent corona around aquaporin-0, a membrane protein of known structure, could be modelled. A precise geometrical model of the corona, shaped as an elliptical torus, was determined. Here, in order to better understand the correlations between the corona model parameters and to discuss the uniqueness of the model, this work was revisited by analyzing systematic SAXS simulations over a wide range of parameters of the torus.},
doi = {10.1107/S1399004714016678},
journal = {Acta Crystallographica. Section D: Biological Crystallography},
number = Pt 1,
volume = 71,
place = {Denmark},
year = {Thu Jan 01 00:00:00 EST 2015},
month = {Thu Jan 01 00:00:00 EST 2015}
}