Assessment and Correction of Small-Angle Scattering Data for Combination with other Experimental Data and with Molecular Simulations

Abstract

Small-angle X-ray and neutron scattering (SAXS and SANS) can probe the structure of biomolecular complexes in solution. These include disordered proteins and self-assembled protein-lipid complexes, such as high- and low-density lipoproteins and nanodiscs. By combining SAXS or SANS with other experimental data and/or molecular dynamics (MD) simulations, a higher level of spatial and temporal detail can be obtained. The accuracy of the results, however, rely on correctly balancing the information from the different sources of data.