KJE-3403 X-ray Crystallography 1 - 10 stp

Starting in 1901, and including 2003, 2006, 2009, 2011, and 2012, more than 15 scientific Nobel Prizes have substantially advanced or involved X-ray crystallography and its ability to determination the three dimensional structures of molecules of any size at atomic resolution. This reflects the central role crystallography continues to play in revealing the structural origins of molecular properties, enabling practical applications ranging broadly, from semiconductor design to drug discovery.

This course gives students both a theoretical foundation of, and practical experience with, modern crystallography. The content involves both theory and experiment, spanning technologies from the generation of X-rays and crystallization of compounds and macromolecules to the determination and evaluation of their molecular structures. Lectures are accompanied by a one week intensive course in crystallization and a research project designed to complement the student's research interests.

The course will be presented in 3 sections: (i) Practical and theoretical introduction to methods for the crystallisation of small molecules and biological macromolecules. (3 credits). (ii) Basic crystallography, diffraction and the measurement and processing of diffraction data. (4 credits). (iii) Structure determination. (3 credits).

The first section of the course can be offered as a separate unit of 3 credits.

The candidate will acquire a solid and broad theoretical and practical basis to understand and perform modern crystallographic structure determination. This will be accompanied by focussed topical studies a from practical lab project in crystallization and an additional project, either experimental or computational, chosen to match specific research interests and goals of the student.

Knowledge

The successful student will:

Fundamentals of crystallography

• Understand the phase problem of crystallography
• Develop an intuitive understanding of the Fourier transform as applied in crystallography
• Understand the basis of X-ray diffraction based on Bragg's law
• Learn the symmetries and point groups of periodic crystals
• Learn the mathematical relationships between the spatial distribution of electron density, crystal lattices, Miller planes, and experimentally observed diffraction patterns.
• Learn to evaluate the accuracy of X-ray crystal structure models

Practical structure determination

• See the structure determination process from start to finish
• Understand the information required for successful structure solution
• Acquire experience with relevant software and webservers.

Crystallization

• Acquire knowledge and experience regarding crystallization methods and necessary prerequisites

Skills

• Be able to plan and conduct crystallization experiments
• Be ready for training to carry out X-ray data collection experiments
• Be able to run a crystallographic structure solution software suite able to perform all necessary structure solution steps.
• Learn the use of key informational and service webservers in crystallography.

General competence

• Have an overview of the entire structure solution process
• Understand the accuracy, relevance, and potential usefulness of crystal structures
• Be able to present crystallographic research results

Grades based on a final, oral examination. Lettergrades (A-F).

Coursework requirements Admission to the examination requires that the practical parts of the course have been completed and reported satisfactorily.