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Re: [ccp4bb]: refinement problem
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Anastassis Perrakis wrote:
>
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> > My problem is in refining a higher resolution native data set, to 1.9 A. The
> > data is fairly isomorphous with the MAD data set, P21, a = 43.718 Å, b = 73.184
> > Å, c = 47.427 Å, b = 113.842º.
>
> Before looking at possible twinning problems ( I guess the experts will
> strike soon ) I would also suggest, given the resolution, to feed the
> starting model to ARP/wARP (www.arp-warp.org) and let the 'warpNtrace'
> protcole rebuild it. If that does not work and R/Rfree are still high I
> would start (well ... keep on ...) being worried ;-)
>
> Tassos
Twinning not possible here - in monoclinic space groups you need a*+c*
to be about the same length as a* or c* - not the case with this cell.