Crystal Structure Refinement

Dr. Peter Muller Department of Chemistry Massachusetts Institute of Technology 77 Massachusetts Avenue, Building 2, Room 325 Cambridge, MA 02139, USA Dr. Regine Herbst-Irmer Department of Structural Chemistry Institute of Inorganic Chemistry University of Göttingen Tammannstr. 4 D-37077 Göttingen, Germany Prof. Dr. Anthony L. Spek Laboratory of Crystal and Structural Chemistry Bijvoet Center for Biomolecular Research Utrecht University Padualaan 8 3584 CH Utrecht, The Netherlands Dr. Thomas R. Schneider IFOM - The FIRC Institute of Molecular Oncology Biocrystallography and Structural Bioinformatics Via Adamello 16 I-20139 Milan, Italy Dr. Michael R. Sawaya Research Faculty, UCLA Technology Center University of California Los Angeles Box 951662 Los Angeles, CA 90095-1662, USA Peter Muller has worked in George Sheldrick's research group for over five years, where he received a thorough crystallographic education. He studied chemistry and crystallography (M.S. in 1997) and received his Ph.D. with George Sheldrick in 2001 on a thesis entitled "Problems of Modern High-Resolution Single-Crystal X-Ray Structure Determination" From 2001 to 2004, he spent three years in Los Angeles as a postdoc in David Eisenberg's group at UCLA. There he worked in the field of molecular and structural biology. Currently, he is the director of the X-ray diffraction facility at MIT. Dr. Müller taught basic and advanced crystallography (both theory and lab classes) in Göttingen, Los Angeles and now at MIT, and has held several structure refinement workshops around the USA and in Germany.

1. SHELXL ; 2. Crystal Structure Refinement ; 3. Hydrogen Atoms ; 4. Atom Type Assignment ; 5. Disorder ; 6. Pseudo Symmetry ; 7. Twinning ; 8. Artefacts ; 9. Structure Validation ; 10. Protein Refinement with SHELXL ; 11. Protein Structure (Cross) Validation ; 12. General Remarks