CCP4i2 demo data: Fragment soak of BAZ2Ba
Bromodomain adjacent to zinc finger protein 2A (BAZ2BA), soaked in a "fragment" as part of a chemical-probe discovery project
Data files
Data files for this tutorial are located in the ccp4i2/test/data/baz2b directory. When browsing to find files, the browser widget has a pull-down labelled "look in" which is populated by the projects known to your instance of ccp4i2 and (at the bottom) by CCP4I2_TOP: a shortcut to the ccp4i2 code base containing the demo data.
- BAZ2BA_x839.xia2Directory in which xia2 has run data processing
- baz2baTutorial.pdfBrief introduction to this tutorial.
- BAZ2B.pdb A suitable starting model.
The ligand for this structure has smiles string :
CN1C(C=Cc2ccccc12)=O
Last modified: Thu Feb 26 14:37:05 GMT 2015