Hi all, I was trying to prep a structure for PDB deposition. All the protein atoms were good, but I needed to correct some ADP and ligand issues. I ran coordinate refinement only on the ligands and subsequent ADP refinement. Everything was good, except the RSMD values output are clearly only for the ligands. Now I am wondering which values in the header I can trust as far as deposition goes. I tried to do a workaround where I ran refine with 0 macrocycles to see if I could get the proper values, but obviously the bulk solvent is different and I get higher R values. I am wondering if I can run validation to get the correct RMSD values or if there are other header values that might have been affected by not refining all the coordinates? Cheers, Katherine -- "Nil illegitimo carborundum"* - *Didactylos