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Dear Tobias, A good example of this is Insulin, where the Zn atom sits on a threefold. See e.g. 1MSO. If you know what the metal is, just put it in with 0.33 occupancy, and see if the refined B-values and coordination make any sense. Always create symmetry neigbours in your building program of choice (Coot for me nowadays...) to see what is going on. Flip -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Tobias Karlberg Sent: Thursday, 17 November, 2005 15:39 To: CCP4 Bulletin Board Subject: [ccp4bb]: Handling density at crystallographic symmetry axis *** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk *** Hello ccp4bb, I have data with electron density at a crystallographic threefold axis. The density is not perfectly spherical and I suspect a metal to bind at this site. What is the best strategy to handle density at crystallographic symmetry axes? Does anyone have similar experience of this kind? Regards Tobias Tobias Karlberg -------------------------------------------- Molecular Biophysics, Center for Chemistry & Chemical Engineering, Lund University, Box 124, 221 00, Lund - Sweden E-mail: [EMAIL PROTECTED] Web: http://www.mbfys.lu.se
