Protein Crystallization Tips
Queen's University Protein Function Discovery
and Department of Biomedical and Molecular Sciences
Molecular Modelling and Crystallographic Computing Facility
Crystallography and Modelling:

Protein Crystallization

Using non-Macroscope software to look at HWI crystallization trials

  • Have you ever tried to look at the results of the protein crystallization trials from the Hauptman-Woodward Institute without using the Macroscope software? Did you notice that the well numbering was different and therefore it was difficult to match the conditions to your images?
  • Well, with the help of someone from HWI I created a python program to map the image numbers to the composition list. The complete list is also available sorted by image number or as provided with macroscope.

Database of crystallization conditions from the PDB

  • Many PDB files contain some crystallization information, though the authors do not necessarily put in all the details. Still, I thought it would be interesting to create a searchable database from that. I created a program to extract any crystallization information from the complete PDB database and read that data into a relational database.
  • You can access my database here. You can search on one or two conditions and/or on the compound name. It is very simple at the moment. You can see the complete database (currently 99691 entries) by putting all in the first condition search box.
  • I know about the Biological macromolecule crystallization database, and it contains much more detailed information about the crystallization conditions, but I don't find that it lends itself to quick scanning of conditions very well.


  • Hampton Research maker of reagent screens and supplier of other crystallization information
  • CRYSTOOL random screen generator
  • XAct Information management system for crystallization trials

Crystallization Tutorials