CCP4i2 demo data: Apo-CeuE (PDB:3ZKW)

A medium sized structure with a MW of ~30kDa which can be solved fairly easily by molecular replacement.

The structure was published by Raines, D.J., Moroz, O.V., Wilson, K.S., and Duhme-Klair, A., in 2013 in a paper entitled "Interactions of a Periplasmic Binding Protein with a Tetradentate Siderophore Mimic." ANGEW.CHEM.INT.ED.ENGL. vol:52, pag:4595 (2013), Identifiers: PubMed ID 23512642 DOI 10.1002/anie.201300751

There are three independent monomers of apo-CeuE in the P1 asymmetric unit. The unmerged intensity data can first be scaled and merged using the Data Reduction pipeline. Recommended cutoff at 1.7Å. Put it on the same origin as the merged MTZ file.

Suggested MR models, with rather low sequence identity around 30%, are PDB 3tef or 4jcc.

Then try autobuilding with Buccaneer.

Data files

Last modified: Thu Feb 26 14:37:05 GMT 2015