Straightforward in Refmac...(a CCP4 package)... >From my iPhone
On 6 May 2014, at 18:02, "Chris Fage" <[email protected]> wrote: > Hi Everyone, > > In my 2.5-angstrom structure, there is negative Fo-Fc density > surrounding a metal ion after refining in Phenix. From anomalous > diffraction I am certain of the metal's identity and position in each > monomer. Also, the ion is appropriately coordinated by nearby side > chains. Should I be refining the occupancy of the ion in attempt to > "flatten" the negative density? I am considering soaking the metal ion > into crystals or cocrystallizing and collecting additional datasets. > > Thanks for your help! > > Regards, > Chris
