SUBJECT

Title

X-ray Crystallography

Type of instruction

lecture

Level

Master

Part of degree program
Credits

2

Recommended in

Semesters 1-4

Typically offered in

Autumn/Spring semester

Course description

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

Readings
  • 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