Another vote for Situs colores - we've had very good luck with using it
to dock domain structures into low resolution multi-crystal SAD maps.
Pete
Oliver Clarke wrote:
> Hi all,
>
> Can anyone recommend software to dock previously solved domains into a (very) low-resolution experimentally phased map?
>
> I am working on a rather marginal case where this would be useful - very large assembly (500kDA per ASU), native goes to 6.9A, and the best derivative goes to 8A with SAD phases from a heavy atom cluster to 11. Unfortunately no NCS is present.
>
> The map is (for the resolution!) not too bad - the solvent boundary is clear after SHELXE, and I can manually place a previously solved structure and get a reasonably convincing fit (and the fit I obtain agrees with that previously determined using CryoEM by another group).
>
> There are a couple of other domains that I would like to place, and I believe I have some idea of where they are, but manual fitting is somewhat subjective, so I'd like an automated routine for doing the same - something like the functionality that ADP_EM provides when working with CryoEM maps. Does something like this exist? I tried using ADP_EM but it gives a segfault when used with a crystallographic density map.
>
> I have tried using MOLREP to look for the model in the map to no avail, and PHASER didn't work either.
>
> On another note, if anyone has any tips for density modification/phase extension in this resolution range I would love to hear them - haven't had a whole lot of luck with PARROT, DM, or SOLOMON, the maps seem stuck at ~10A despite data going to 8. I tried using SHARP with the SPHCLUSTER tag on, but it gave no improvement over what I obtain treating the cluster as a super atom in SHELXD.
>
> Many thanks in advance!
>
> Oliver.
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