Q: Can someone give me a 25 word description of what occupancy means?Occupancy refers to the percentage of unit cells in a crystal that contain a certain atom. For ligands soaked into the protein crystal, occupancy could be below 1.0 because the affinity and concentration of the ligand are lower than those required for 100% binding. For protein side chains, occupancy is used to describe two alternate conformations, i.e. you would find two sets of coordinates for specific residues (often labelled A and B in a column preceeding the residue number), with occupancies adding up to 1.0. Most programs fail to recognize this and either throw out those residues alltogether or take the one with the higher occupancy.
Thanks, Miguel
Sorry, failed to adhere to the 25 word limit ;-)
Karsten
-- Karsten Theis Asst. Professor Biochemistry and Molecular Biology University of Massachusetts Amherst (413) 577 2890 www.bio.umass.edu/biochem/theis
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