Re: [ccp4bb] Unexplained density near cobalt

2011-07-08 Thread Rob Meijers
Subject: Re: [ccp4bb] Unexplained density near cobalt To: CCP4BB@JISCMAIL.AC.UK Date: Thursday, July 7, 2011, 9:39 PM Could be a hexacoordinated cobalt with a water molecule (or a hydroxyl ion) depending on the chemical environment... Artem On Thu, Jul 7, 2011 at 10:07 AM, Machius, Mischa

Re: [ccp4bb] Unexplained density near cobalt

2011-07-08 Thread Balendu Avvaru
Hi MM, Co in its +2 oxidation state typically forms a tetrahedrally coordinated species in high pH environment; and pentagonally coordinated species with five ligands at low pH. A Co ion in its +3 oxidation state forms a octahedrally coordinated species with six ligands. Co +3 is unusual in

Re: [ccp4bb] Unexplained density near cobalt

2011-07-07 Thread Jens Preben Morth
hey Mischa I would guess that is a split cobalt/metal site occupancy 0.1 and 0.9 or something like that. If you calculate an anomalous difference map you may be able to confirm/reject that suggestion, depending on the strength of the anomalous signal. cheers Preben On 07.07.2011, at

Re: [ccp4bb] Unexplained density near cobalt

2011-07-07 Thread Arthur Glasfeld
We have a manganese binding protein that binds two Mn ions in a binuclear complex. It turns out that one of the metal ions can move about 2.0 Å depending on crystallization data collection conditions (check out PDB files 1ON1 and 2F5D for the alternate conformations). In some instances we

Re: [ccp4bb] Unexplained density near cobalt

2011-07-07 Thread Artem Evdokimov
Could be a hexacoordinated cobalt with a water molecule (or a hydroxyl ion) depending on the chemical environment... Artem On Thu, Jul 7, 2011 at 10:07 AM, Machius, Mischa Christian mach...@med.unc.edu wrote: Y'all, I was wondering if anyone had any thoughts about a feature we observe with