Dear Eleanor, >From PDB files I see that the structures were solved by molecular replacement using pdbid 1gci as a starting model. It is hard to say definitely without the linked paper but may be the depositors made the same error that I did some time ago: they solved both structures using molecular replacement instead of running rigid body refinement for follow up structure. Actually, the issue with different origins is pretty common in pdb. For example, I searched pdb for isomorphous lysozyme structures in P43212 with unit cell dimensions a=b=78.5-79.3 and c=36.5-37.3 and have found 121 structures. I picked 6 random structures and only 2 of them have the same origin. By the way, may be someone has a script to move several isomorphous structures to the same origin and rename chains according to reference structure?
пт, 8 нояб. 2019 г. в 14:02, Eleanor Dodson < 0000176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk>: > I have just downloaded two isomorphous coordinates from the pdb > 5arb and 5arc deposited by the same team > > > Tried to compare and they are on different origins. > > I know it doesnt affect the crystallography > It is easily corrected > > BUT it seems bad practice to me > > Eleanor > > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > -- Evgenii Osipov Laboratory for Biocrystallography, Department of Pharmaceutical Sciences, KU Leuven O&N2 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
