AquaSAXS: a web server for computation and fitting of SAXS profiles with non-uniformally hydrated atomic models

摘要: Small Angle X-ray Scattering (SAXS) techniques are becoming more and useful for structural biologists biochemists, thanks to better access dedicated synchrotron beamlines, detectors the relative easiness of sample preparation. The ability compute theoretical SAXS profile a given model, compare this with measured scattering intensity, yields crucial informations about macromolecule under study and/or its complexes in solution. An important contribution profile, besides itself solvent-excluded volume, is excess density due hydration layer. AquaSAXS takes advantage recently developed methods, such as AquaSol, that give equilibrium solvent map around macromolecules, an accurate SAXS/WAXS structure it experimental one. Here, we describe interface architecture capabilities web server (http://lorentz.dynstr.pasteur.fr/aquasaxs.php).