[sharp-discuss] sharp error: No column "FP" of type "F" found in file

[Mark J van Raaij]

Hi Sabine,
first I'd say you have to ascertain whether your MR solution is correct or not. If it's incorrect, there is no point using it, it will only make things worse. If it's correct but phases are bad because the search model is not similar in structure to the new structure, then it may have some use. Does the MR solution predict any side-chain density not present in the search model but that should be present in your new structure.
If you don't want to use the MR phases, then just give AutoSharp the two datasets separately and let it take care of the scaling etc. We solved a Fe-MAD structure last year with AutoSharp for which I could not get good phases using any other program. 2.2 A remote, 2.9 A infl. and worse than 3 A peak if I remember correctly.
I have never done "MR-SAD" (i.e. MR plus peak) in Sharp so will leave that part for the experts - but it is easy to do in AutoRickshaw or Phenix.
For MR-MAD (MAR plus two or more wavelengths) I don't know if there is software that can do that easily...
Mark

Mark J van Raaij
Laboratorio M-4
Dpto de Estructura de Macromoleculas
Centro Nacional de Biotecnologia - CSIC
c/Darwin 3
E-28049 Madrid, Spain
tel. (+34) 91 585 4616
http://www.cnb.csic.es/content/research/macromolecular/mvraaij





On 4 Nov 2011, at 13:49, Sabine Schneider wrote:

> Hello everyone,
> 
> I got an Fe peak dataset extending to about 4A. I also got a native 
> dataset to 2.6A and a crapy MR solution.
> Symmetry seems to be P43212, 1mol/asu
> I want to use sharp to combine all these and hope to get interpretable 
> maps.
> So I used CAD to add to put the native togehter with the peak data and 
> the phases from Phaser.
> 
> First I used the MR phases to find the iron (1 in 30kDa) in an anomalous 
> difference fourir map. - looks reasonable
> 
> So I fed autosharp (1 wavelength MIR) with the mtz from CAD 
> (ccp4-6.2.0). The first thing I noticed that despite beeing defined as 
> 'expert user', sharp does not automatically gives me the option 'using 
> external phases'. This wasn't showing up either when re-running an old 
> job, where I had used that option with a different mtz file in sharp of 
> autosharp.
> 
> Since I didn't want to use the MR phases initially anyway, I just 
> ignored it and keep going.
> But when I submitted the job to sharp it stopped with the
> 
> 
>       1.1.2 Columns
>  ERROR   : No column "FP" of type "F" found in file
> 
> /home/sabine/Progs_scripts/sharp/users/sabine/None.sharp/datafiles/XXX.mtz!
> 
> Doing mtzdmp on the file from CAD returns:
> H K L FP SIGFP FreeR_flag FP_pk SIGFP_pk DANO_pk SIGDANO_pk ISYM FWT 
> PHWT HLA HLB HLC HLD
> 
> Than I run CAD  again and produced a file without the phases and  got a 
> file only with H K L FP SIGFP F_pk SIGF_pk DANO_pk SIGDANO_pk ISYM_pk
> 
> Which returns the same sharp error.
> 
> An old job of mine is running , also as I said the external-phase panel 
> is not visible.
> I upgraded Ubuntu 9.10 a while back to 10.4 - I haven't used sharp since 
> than.
> 
> Any ideas where I am going wrong?
> 
> Sabine
> 
> ------------------------------------------
> Dr. Sabine Schneider
> Technische Universität Munich
> Department of Chemistry
> Chair of Biochemistry
> Lichtenbergstr. 4
> D-85747 Garching
> Germany
> Tel.: +49 (0) 89 289 12891
> Fax: +49 (0) 89 289 13363
> http://www.biochemie.ch.tum.de/index.php?id=919
> 
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