Sir, Ok. It is an acetate ion which interacts with its symmetry equivalent ion only one of its oxygen atoms is closer to its symmetry equivalent and not the entire ion. So do I need to give lower occupancy for this ion?
Thank you Regards Kavya > It is probably a wrong question to ask here. Pretty much everything is > "tolerated" by PDB during deposition, the report you get is an advice, > not instruction. I wonder whether anyone has an example of the > RCSB/PDBe/PDBj ever turning down submitted structure. > > The right question is whether the short contact you mention is tolerated > by laws of nature. It's fairly common to have, say, a water molecule > split in two positions near symmetry axis - as long as you have it at > occupancy<1.0, it's ok. > > On 05/27/2013 05:21 AM, Kavyashree Manjunath wrote: >> Dear users, >> >> Is short contact (1.83Ang) between an atom and symmetry >> equivalent of itself tolerated during deposition? I am not >> able to get rid of this short contact appearing after refinement. >> >> Thank you >> Regards >> Kavya >> >> > > > -- > Oh, suddenly throwing a giraffe into a volcano to make water is crazy? > Julian, King of Lemurs > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > > -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean.
