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alternate conformation

Martin K Safo msafo at hsc.vcu.edu
Thu May 13 08:33:28 EST 1999

I am not sure if my first message got through, but can someone help me
as to define for xplor refinement a heme propionate side
chain that occupies two alternate conformation. One of the conformer is
on crystallographic axis, thus almost ovelapping the symmetry related
conformer side chain. On the same subject, an inhibitor in the same
protein also has its tail end occupying two alternate conformation. Both
conformers are close to a crystallographic axis resulting in overlapping
with the symmetry-related conformers. Any idea as to how to set these up
for refinement.

And by the way what will be the occupancy for the ovelapping propionate
groups. Is it
0.5 and 0.25 for the one close to the NCS axis? And for the inhibitor is
it 0.25 for both conformers? Thanks

Martin Safo

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