Date 
Lecture 
Online Material 
3 Oct 
 Why Xrays? Why Crystals?
 • Bragg's Law
 • What's in a crystal?
 space group symmetry, noncrystallographic symmetry, impossible symmetry
 • Practical Details
 growing crystals, sample preparation,
Xray sources, data collection

 Crystals
 Bragg's Law
(Wikipedia page)
(java applet)
 Escher Web Sketcher (java applet)
 Penrose Tilings
and the 2011 Nobel Prize

Crystal Growth 101
(PDF)

Phase Diagrams  theory of crystallization
 Synchrotron Radiation Videos

What's a Synchrotron?

Student Data Collection Trip to APS

Students stay home  robot does the work

5 Oct 
 Reciprocal Space ⇔ Real Space
 • Fourier Transforms
 • Point A  Experimental data (Reciprocal Space)
 • Point B  Electron density maps (Real Space)
 • The Phase Problem
 how to get from point A to point B?


Kevin Cowtan's Book of Fourier
 Fourier Series in 1D
 Java applet
 nonJava applet
 Fourier Series in 2D

Structure Factor Tutorial

24 Oct 
 The Phase Problem
 We only measured half of what we needed???

 Structure Determination  Solving the Phase Problem
 Molecular Replacement
 Direct Methods
 MIR (Multiple Isomorphous Replacement)
 Anomalous Scattering (MAD SAD SIRAS)

 What do we learn from crystal structures?
 Modelbuilding  what goes in, what comes out
 How to refine a model
 How not to refine a model

Xray Anomalous Scattering

26 Oct 
 How to judge the quality of a crystal structure
 • Criteria
 • Validation tools

 Where to find a crystal structure
 www.rcsb.org

 Frontiers of Crystallography
 • Nanocrystals and femtosecond experiments

 Validation Criteria

The geometry of basic protein elements

Braille for Pugilists Essay from 20 years ago but still good reading
 Validation Tools
 Molprobity
 wwPDB Validation Reports
 PDB Redux (a.k.a. PDB REDO)
 Cool Stuff

Free Electron Laser (Stanford) (Youtube video)
