SUBJECT

X-ray Crystallography

lecture

Master

Faculty of Science

Chemistry MSc

2

Semesters 1-4

Autumn/Spring semester

The bases of X-ray crystallography of small molecules and macromolecules are discussed:

•  Diffraction of X-rays;

• Theory of structure factors and Fourier synthesis; 

• Symmetry of crystals and datasets;

• Direct methods

• Structure refinement by least squares method;

• Crystallization and data collection;

• Solving the phase problem of macromolecular datasets;

• Density modification, model building;

• Refinement of macromolecular structures, maximum likelihood and molecular dynamics methods;

• Crystallographic databanks

• C. Giacovazzo, H.L. Monaco, G. Artioli, D. Viterbo, G. Ferraris, G. Gilli, G. Zanotti, M.Catti: „Fundamentals of Crystallography”, IUCr/Oxford University Press, 2002

• Gale Rhodes: "Crystallography Made Crystal Clear; A Guide for Users of Macromolecular Models", Academic Press 2006

• JP. Glusker, M. Lewis, M. Rossi: „Crystal Structure Analysis for Chemists and Biologists”, Whiley, 1994