Crystal Structure Refinement

Dr. Peter MullerDepartment of ChemistryMassachusetts Institute of Technology 77 Massachusetts Avenue, Building 2, Room 325Cambridge, MA 02139, USADr. Regine Herbst-IrmerDepartment of Structural ChemistryInstitute of Inorganic ChemistryUniversity of GöttingenTammannstr. 4D-37077 Göttingen, GermanyProf. Dr. Anthony L. SpekLaboratory of Crystal and Structural ChemistryBijvoet Center for Biomolecular Research Utrecht UniversityPadualaan 8 3584 CH Utrecht, The NetherlandsDr. Thomas R. SchneiderIFOM - The FIRC Institute of Molecular Oncology Biocrystallography and Structural Bioinformatics Via Adamello 16I-20139 Milan, ItalyDr. Michael R. SawayaResearch Faculty, UCLA Technology CenterUniversity of California Los AngelesBox 951662 Los Angeles, CA 90095-1662, USAPeter 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.

`A key purchase for a wide population of scientists engaged in crystal structure determination...The depth of coverage of important topics such as twinning and disorder will be very valuable to structural scientists, and will provide information and an approach that is not currently available. 'Alexander J. Blake, University of Nottingham

• 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