Merging In-Solution X-ray and Neutron Scattering Data Allows Fine Structural Analysis of Membrane–Protein Detergent Complexes

Gaëtan Dias Mirandela 1 Giulia Tamburrino 2 Miloš Ivanović 3 Felix Strnad 4 Olwyn Byron 5 Tim Rasmussen 6 Paul Hoskisson 1 Jochen Hub 7 Ulrich Zachariae 8 Frank Gabel 9 Arnaud Javelle 1
1 Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, Glasgow
2 Physics, School of Science and Engineering
3 Theoretical Physics
4 Institute for Microbiology and Genetics [Göttingen]
5 ePlant Science Group, School of Life Sciences, College of Medical Veterinary and Life Sciences
6 School of Chemical Sciences and Pharmacy
7 Theoretical Physics
8 Division of Physics, School of Engineering
9 IBS - UMR 5075 - Institut de biologie structurale
Abstract : In-solution small-angle X-ray and neutron scattering (SAXS/SANS) have become popular methods to characterize the structure of membrane proteins, solubilized by either detergents or nanodiscs. SANS studies of protein-detergent complexes usually require deuterium-labeled proteins or detergents, which in turn often lead to problems in their expression or purification. Here, we report an approach whose novelty is the combined analysis of SAXS and SANS data from an unlabeled membrane protein complex in solution in two complementary ways. First, an explicit atomic analysis, including both protein and detergent molecules, using the program WAXSiS, which has been adapted to predict SANS data. Second, the use of MONSA which allows one to discriminate between detergent head- and tail-groups in an ab initio approach. Our approach is readily applicable to any detergent-solubilized protein and provides more detailed structural information on protein-detergent complexes from unlabeled samples than SAXS or SANS alone.
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Submitted on : Wednesday, January 23, 2019 - 9:30:20 AM
Last modification on : Thursday, September 26, 2019 - 10:58:03 AM

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Gaëtan Dias Mirandela, Giulia Tamburrino, Miloš Ivanović, Felix Strnad, Olwyn Byron, et al.. Merging In-Solution X-ray and Neutron Scattering Data Allows Fine Structural Analysis of Membrane–Protein Detergent Complexes. Journal of Physical Chemistry Letters, American Chemical Society, 2018, 9 (14), pp.3910-3914. ⟨10.1021/acs.jpclett.8b01598⟩. ⟨hal-01990373⟩

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