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[ccp4bb]: pseudo-ncs restraints?
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Is there a way, in either cns or refmac, to apply ncs restraints to the
backbone atoms of DNA chains with different sequences? I have a
homodimeric protein bound to an asymmetric DNA site that is present in the
crystal in two orientations. When both orientations are refined at once
they diverge. This might reflect two conformations but I think it really
results from a fairly crude model at "modest" (~2.7-2.8) resolution being
given more freedom than it deserves. CNS politely reads restraint
definitions that specifiy only backbone atoms but then quietly doesn't use
them when the nt sequence differs.
One could probably just refine a partially-wrong but truly symmetric
sequence, but I was hoping for something more elegant.
thanks,
Phoebe