Have you tried DMMULTI? It can do a brilliant job..
Eleanor
Ethan Merritt wrote:
> Hi all,
>
> I have an interesting problem case at the moment.
> We have crystallized the same 2-domain protein in two different,
> i.e. non-isomorphous, crystal forms.
>
> There is a decent homologous structure for one domain
> (about 40% of the total), but no known homologous structure for
> the larger second domain. Phaser easily places the probe structure
> in both unit cells, but recovering the remaining 60% of the structure
> from that starting point is problematic.
>
> In both cells there is only a single copy of the protein per a.s.u.,
> Resolution is on the order of 2.6A, and the solvent content is
> relatively low. So no help from NCS or solvent flattening for
> either structure by itself.
>
> Yes, we can start searching for derivatives or SeMet data, but
> meanwhile I am looking for advice on the current generation of tools
> available for cross-crystal density averaging.
>
> Are there any that tie in to auto-tracing in Arp/wArp or resolve?
> Is there any chance of eventually doing joint refining of both structures
> simultaneously?
>
>
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