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This is generally a good idea, but removal of residues is a subjective process, and a little trial and error.  If your sequence searching finds multiple search models you can superimpose them and systematically remove the poorer fitting regions based upon RMSD.  We have built a server for this at http://pxgrid.med.monash.edu.au:8080/mustangserver/
Also see the paper: http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0010048

This can generate A LOT of search models, so you need a way of testing them all, and possibly varying other parameters (eg in PHASER varying RMSD, space groups to test, clashes).  This can generate >100 runs, so best to be able to use a compute cluster, and some way of queing the jobs (eg MrBump, BALBES etc.  Another solution is here:

http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0010049

hope that helps
Ashley

On 25/05/2010, at 2:52 AM, Jürgen Bosch wrote:

You've also applied BRAIN 2.0 ?

I mean looked at homologous structures, superimposed them and decided which parts are to be removed ?
Never trust programs :-) There could be a flexible alpha helix which if you removed it would have given you in all programs a solution.

it's Monday,

Jürgen


On May 24, 2010, at 10:24 AM, Paul Lindblom wrote:

The last molrep job just finished and it found only an odd solution. So I think I will try to get my phases elsewhere. But I am somewhat astonished that there are still enough cases you can't solve by MR.

Thanks to all who replied. Here is a list of servers/programs to find a MR model:

http://www.ebi.ac.uk/pdbe-srv/view/

http://www.ebi.ac.uk/Tools/fasta33/index.html

http://meta.bioinfo.pl/submit_wizard.pl

XtalPred
http://ffas.burnham.org/XtalPred-cgi/xtal.pl

Balbes  http://www.ysbl.york.ac.uk/~fei/balbes/

use the OCA browser for FASTA searches of the PDB

Modeller or Rosetta (both also available as web servers)

ensemble of many proteins with Phaser

FFAS server maintained by the Godzik lab

generate some models using the "Phyre" server   ( http://www.sbg.bio.ic.ac.uk/~phyre/ )  and feed the best .pdbs into Mr Bump.






-
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Phone: +1-410-614-4742
Lab:      +1-410-614-4894
Fax:      +1-410-955-3655
http://web.mac.com/bosch_lab/


Associate Professor Ashley M Buckle
NHMRC Senior Research Fellow
The Department of Biochemistry and Molecular Biology,
Faculty of Medicine 
Monash University, Clayton, Vic 3800
Australia

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skype: ashley.buckle
Tel: (613) 9902 9313 (office)
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