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

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