[phenixbb] Preferred treatment of residues with no electron density

Mark Saper saper at umich.edu
Mon Aug 19 15:12:40 PDT 2013

What is the preferred method for handling missing residues or residues with zero occupancy, in terms of PBD submission?

I see three options:
	Remove them from the model
	set occupancy=0 and flag in REMARKs 475 and 480
	keep occupancy=1 and allow the temperature factors to climb

I have a disordered region in my molecule which I am restraining to a portion of a structure in which that region is well resolved.  There are several residues that have no density in the current refinement, yet I want to keep them in the model.  Suggestions?

Mark A. Saper, Ph.D.
Department of Biological Chemistry, University of Michigan Medical School
3040 Chemistry Building  |  saper at umich.edu  |  +1 (734) 764-3353  

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