Crystal Structure Anaylsis

Syllabus for CH584 Fall, 1997

Dr. Teeter (552-3615), 203 Merkert

teeter@bcchme.bc.edu; teeter@bc.edu; web address: http://www2.bc.edu/~teeter/Courses/CH584/CH584.html

X-ray crystallography provides a unique look at the three-dimensional architecture of molecules. This course will deal with single crystal X-ray diffraction analysis of primarily small molecules with mention of problems of larger structures and macromolecules. Both practical and theoretical aspects of structure analysis will be stressed. Subjects include crystal growth, crystal lattices and space groups, production and diffraction of X-rays, crystal structure solution, least squares refinement, analysis of structures, computer graphic display of structures, and analysis of structures. Exercises and problem sets will supplement the lectures.

The lectures will be supplemented by problem sets, exercises, and quizzes.

 

Required Text:

Crystal Structure Analysis for Chemists and Biologists. J. Glusker, M. Rossi, M. Lewis. (1994)

Recommended Texts:

Crystal Structure Analysis: A Primer. J. Glusker & K. Trueblood.

X-ray Structure Determination: A Practical Guide. G. Stout & L. Jensen.

Principles of Protein X-ray Crystallography. J. Drenth.

 

Web Sites for general X-ray diffraction teaching:

Crystallography 101 - Index, a web tutorial covering many topics of this course.

X-ray Diffraction, an overview.

Teaching Guide to X-ray and Neutron Diffraction, some use of fourier transforms.

Optical transforms homepage

Kevin Cowtan's Picture Book of Fourier Transforms, whimsical with real life images.

 

The outline for the course includes the following areas:

What is a crystal?

Crystals and crystal growing.

Crystal Growing Guide, graduate student oriented.

Quartz Crystal Photography

How to grow protein crystals

Production and diffraction of X-rays.

Structure Factors and the Phase Problem

Resolution primer

Lattices and their symmetry (point, plane and space groups).

About Crystals, Symmetry and Space Groups

Data collection setup and execution.

Experimental Setup (including cryocooling)

Arc goniometer animation

Solution of a protein crystal structure: finding the coordinates of protein that agree with crystallographic data

Phasing Techniques for Proteins

Refinement and analysis of structures

Viewing and analyzing a molecule from the crystal structure

Grading

Quizzes (5%), exams (40%), problem sets & exercises (25%), final exam (30%).

 

For notes about homework, please look here. Homework Notes

Last updated August 29, 1997

Copyright Martha M. Teeter, 1997.