Hi All,

I’m refining a structure (dev-1726) that contains 24 protein subunits which are assigned to chains A-X in the PDB file.  Chains Y and Z are assigned to a couple of ligands and the ordered solvent molecules are chain w (lower case).  I decided to give the “Update waters” option a try during refinement but it seems that the chain ID of the ordered solvent is changed to chain S by default.  Since I already have a protein subunit assigned to chain S, the following error is obtained when I try to open the model in Coot (ERROR 39 READ: Duplicate sequence number and insertion code.).  To enable visualization of the model in Coot, I can of course manually change the chain ID for the ordered solvent in the output PDB file using a text editor.   However,  is there a way to override the ordered solvent default chain ID in Phenix to prevent duplication?

Thanks,

Scott

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Scott Lovell Ph.D., Director

Protein Structure Laboratory

University of Kansas

Del Shankel Structural Biology Center