[phenixbb] DTT at special position

Nikos Pinotsis Nikos.Pinotsis at icr.ac.uk
Mon Feb 23 09:28:16 PST 2009

Dear all, 

even though I checked the documentation and previous threads I didn't find something relative to my problem:
I have an elongated e-density that looks like DTT and appears to be located on a special position (there is actually an axis betwenn C2 and C3 atoms of DTT). Refining with phenix.refine using either 0.5 or 1.0 occupancy, I am getting the DTT molecule outside the density (and the symmetry related DTT from the other side and still in the middle the strong difference density. 
thanks in advance for any suggestions-solutions

Dr. Nikos Pinotsis
Section of Structural Biology 
Institute of Cancer Research
Chester Beatty Laboratories 
237 Fulham Road 
London SW3 6JB, UK
Tel: +44 20 7153 5453 / 5447 

The Institute of Cancer Research: Royal Cancer Hospital, a charitable Company Limited by Guarantee, Registered in England under Company No. 534147 with its Registered Office at 123 Old Brompton Road, London SW7 3RP.

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