Students will know the physical principles of X-ray crystallography for protein structure determination. They will understand the process of solving protein structures from the crystallisation to structural refinement. They will understand the crystallographic model building process as a reconstruction, along with the limitations associated with the method. Students will be capable of using public domain software tools for assessing the quality of protein structure models for use in, for example, computer-aided drug discovery.
- Crystals, crystal classes, symmetry
- X-ray diffraction, crystallographic resolution, structure factors, phase problem
- Overview of the process of protein structure elucidation (crystallisation, data collection, evaluation and analysis, calculation of phases, structural refinement)
- Application of the public domain software tool COOT for assessing the quality of structural models by visual inspection of election density maps
Lecture 1 SWS, Exercises 1 SWS
Examination prerequisite: Acceptance of exercises
Examination: Written or oral exam (The form of the examination will be announced to the students in a timely and appropriate manner)
- COOT Tutorial und Publikation
- Wlodawer, A., Minor, W., Dauter, Z. & Jaskolski, M. Protein crystallography for non-crystallographers, or how to get the best (but not more) from published macromolecular structures. FEBS J. 275, 1–21 (2008).
- Bioinformatics (B.Sc. 2012)