Re: [ccp4bb]: Problem to find a suitable solution by MR method

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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 Well - first run Amore (or CNS or MOLREP) with  the rigid domain only.
I use the GUI and just let it make the decisions..

 But before you do any MR search.
Check the patterson for pseudo-translation peaks
Check that you really do have the correct space group - is it P212121 or
maybe P21221 or something..

 Eleanor


Yunqing Liu wrote:
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> 
> Dear all:
> Does anyone experience or know some structure determination cases by molecular replacement method that AmoRe program helps to find the correct solution after CNS program fails to find a suitable one?
> I have a starting model which is 50% identity and 70% positive to my protein in the primary sequence. In my protein there is a big flexible domain. I fail to find a suitable solution with CNS program with the whole model or the partial model. So, I turn to AmoRe and try to change the variables in the ROTFUN of AmoRe program like following:
> 
> CELL_MODEL <a> <b> <c>            --- I think these parameters define the outer sphere in the Patterson vectors
> SPHERE <Irmax>                     --- I think these parameters define the inner sphere in the Patterson vectors
> 
> But I still can't find a suitable solution to start my model building.  Here, I am eager for any advice from the structure determination communities who ever knows or experiences such problems.
> Great Thanks!
> 
> 
> 　　　　　　　　Yunqing Liu
> 　　　　　　　　yqliu@sibs.ac.cn
> 　　　　　　　　　　2003-04-28
> 
> 
> 
> 
>