This Intensive Training Course is organized by a IDPbyNMR project (www.IDPbyNMR.eu), which is a Marie Curie activity funded under the European Commission FP7 people programme. The course is dedicated to application of Small Angle X-ray Scattering and Computational Techniques to studying of intrinsically disordered proteins (IDPs).
The course includes theoretical lectures, tutorials on SAXS data analysis and computational techniques and measurements at the EMBL high brilliance synchrotron BioSAXS beamline P12 (storage ring PETRA-3, DESY).
The theoretical part covers basics of SAXS, sample preparation for measurement, initial data processing approaches, ab initio and rigid body modeling, analysis of polydisperse systems, application of ensemble optimization method for studying of flexible proteins and incorporation of SAXS in molecular dynamics simulations .
The methods combining NMR and SAXS data for a conformational description of IDPs will be presented.
The practical part includes tutorials of ATSAS package programs, Asteroids and Flexible-Meccano software, measurements at the SAXS beamline and analysis of obtained data.
Participants may bring their own samples to perform measurements on the beamline during the course. Students should bring their own laptops for tutorials.
Topics of the talks and tutorials:
- Introduction to SAXS
- Sample preparation and characterization
- Data reduction and processing
- Ab initio methods - Rigid body refinement
- Mixture analysis
- Ensemble optimization method tutorial
- Asteroids software
- Flexible-Meccano method
- Incorporation of SAXS measurements as structural restraints in molecular dynamics simulations