Hi folks, I have a case where I have changed the occupancy of a lysine residue to 0.00 and after refinement the geometry is wrong, i.e. one of the bonds is extended (no connectivity in Coot and length is 1.76A). I have seen this before with other residues and a previous data set. The break in this case occurs between CG (1.00 occ) and CD (0.00 occ).
Any thoughts on why this is occurring? Cheers Joel _________________________________ Joel Tyndall, PhD Senior Lecturer in Medicinal Chemistry National School of Pharmacy University of Otago PO Box 56 Dunedin 9054 New Zealand Skype: jtyndall http://www.researcherid.com/rid/C-2803-2008 Pukeka Matua Te Kura Taiwhanga Putaiao Te Whare Wananga o Otago Pouaka Poutapeta 56 Otepoti 9054 Aotearoa Ph / Waea +64 3 4797293 Fax / Waeawhakaahua +64 3 4797034
