 |
 |
Hi folks, It is really helpful at last to get some realistic numbers of ZBond and ZANGL to use as a guide and as criteria for proper refinement and good geometry. Perhaps these should be given more attention by referees and the RCSB PDB to ensure that the crystallography is reliable? I am still wondering what are reasonable target values for the other Refmac5 geometric statistics like rmsBOND, rmsANGL and rmsCHIRAL, since these often get reported in publications? For a protein structure at say 2.5 angstroms resolution what values indicate good refinement and what are out of range? For example rmsBOND of 0.002 or 0.02? rmsANGL of 0.2 or 2.0? rmsCHIRAL of 0.02 or 0.2? I suspect that these Refmac5 statistics often pass unnoticed and unused in refinement. Many thanks for your helpful comments.