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Crystal Structure Refinement - Peter Muller, Regine Herbst-Irmer, Anthony Spek, Thomas Schneider, Michael Sawaya

Crystal Structure Refinement

A Crystallographer's Guide to SHELXL
Buch | Hardcover
232 Seiten
2006
Oxford University Press (Verlag)
978-0-19-857076-9 (ISBN)
CHF 139,95 inkl. MwSt
This book is a mixture of textbook and tutorial. As Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been addressed by textbooks so far. In each of the chapters the book gives examples, describing every problem in detail. It comes with a CD-ROM with all files necessary to reproduce the refinements.
Crystal Structure Refinement is a mixture of textbook and tutorial. As A Crystallographers Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been much addressed by textbooks so far. After an introduction to SHELXL in the first chapter, a brief survey of crystal structure refinement is provided. Chapters three and higher address the various aspects of structure refinement, from the treatment of hydrogen atoms to the assignment of atom types, to disorder, to non-crystallographic symmetry and twinning. One chapter is dedicated to the refinement of macromolecular structures and two short chapters deal with structure validation (one for small molecule structures and one for macromolecules). In each of the chapters the book gives refinement examples, based on the program SHELXL, describing every problem in detail. It comes with a CD-ROM with all files necessary to reproduce the refinements.

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

Erscheint lt. Verlag 13.7.2006
Reihe/Serie International Union of Crystallography Texts on Crystallography ; 8
Zusatzinfo 76 line drawings and 4 halftones
Verlagsort Oxford
Sprache englisch
Maße 162 x 242 mm
Gewicht 542 g
Themenwelt Naturwissenschaften Chemie Analytische Chemie
Naturwissenschaften Chemie Physikalische Chemie
Naturwissenschaften Geowissenschaften Mineralogie / Paläontologie
Naturwissenschaften Physik / Astronomie Festkörperphysik
Technik Maschinenbau
ISBN-10 0-19-857076-7 / 0198570767
ISBN-13 978-0-19-857076-9 / 9780198570769
Zustand Neuware
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