Not real advice, but be careful if Phaser and DM use the same column
labels by default - best to assign them to something distinctive. I have
had cases where programs got confused between input and output.
And to be safe I would run REFMAC with the output model then use the FO
PHIC FOM after a bit of refinement..
Eleanor
hari jayaram wrote:
> Hi everyone,
> I have a phaser molecular replacement solution for my membrane protein which
> crystallized in spacegroup P3. The diffraction data is good to about 3.3 A.
> The model I used had 39% homology to the given protein. A solvent content
> analysis suggests that there probably are three dimers in the ASU ( to give
> about 67% solvent)
> Phaser sucessfuly found two dimers in the ASU with good density and a third
> dimer with very weak almost "non-existent" density.
> I am now trying to do some NCS-averaging using DM to see If I can improve
> the desnity for dimer 3 and have a question about the different
> co-efficients I should be using for the averaging DM run.
>
> Question1:
> The phaser output mtz file has a PHWT and a PHIC . For carrying out DM with
> flattening, averaging and histogram matching which phases do I use PHIC or
> PHWT along with observed Fo. Also for the weight do I use the FOM.
>
> Question2:
> The output mtz from DM run either way above , now has a PHIDM and a PHWT
> along with a FWT and FC. Which coefficients should I be using to get a map
> after DM for building.
>
> FWT and PHWT
> or
> Fo and PHIDM
> or
> FWT and PHIDM.
>
>
> Thank you for your help
> Hari
>
>
|