1. Merging in-solution X-ray and neutron scattering data allows fine structural analysis of membrane-protein detergent complexes
- Author
-
Giulia Tamburrino, Frank Gabel, Jochen S. Hub, Olwyn Byron, Tim Rasmussen, Ulrich Zachariae, Miloš T. Ivanović, Arnaud Javelle, Felix M. Strnad, Paul A. Hoskisson, Gaëtan Dias Mirandela, Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, Glasgow, Physics, School of Science and Engineering, University of Dundee, Theoretical Physics, Saarland University [Saarbrücken], Institute for Microbiology and Genetics [Göttingen], Georg-August-University [Göttingen], ePlant Science Group, School of Life Sciences, College of Medical Veterinary and Life Sciences, University of Glasgow, School of Chemical Sciences and Pharmacy, University of East Anglia [Norwich] (UEA), Division of Physics, School of Engineering, Institut de biologie structurale (IBS - UMR 5075 ), Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Georg-August-University = Georg-August-Universität Göttingen, Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)
- Subjects
Materials science ,Detergents ,Ab initio ,Molecular Dynamics Simulation ,Neutron scattering ,010402 general chemistry ,01 natural sciences ,Chemistry Techniques, Analytical ,Turn (biochemistry) ,03 medical and health sciences ,X-Ray Diffraction ,Molecule ,MESH: Molecular Dynamics Simulation ,030304 developmental biology ,0303 health sciences ,[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM] ,Small-angle X-ray scattering ,MESH: X-Ray Diffraction ,X-ray ,Membrane Proteins ,MESH: Chemistry Techniques, Analytical ,MESH: Neutron Diffraction ,0104 chemical sciences ,QD450 ,MESH: Solubility ,Neutron Diffraction ,Crystallography ,Solubility ,Membrane protein ,Membrane protein complex ,MESH: Membrane Proteins ,MESH: Detergents - Abstract
International audience; 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.
- Published
- 2018