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Dear Dipankar,

if you refine your model straight after molecular replacement you risk
to further strengthen model bias which could result in hovering out
features in your data which otherwise help you improve your model.

Look at the model and the map after rigid body refinement with the model
building program of your choice and improve the model as much as you can
before you run any further refinement. If you do not see any  features
in the map deviating from the model chances are high that your MR
solution is incorrect.

Best wishes,
Tim

On 03/14/2012 10:26 AM, Dipankar Manna wrote:
> Dear Crystallographers,
> 
> Can anybody guide me how to reduce R-factor, means which are the basic 
> parameters I have to look for to reduce the R-factor during refinement. I am 
> newly learning the refinement. After running molrep R-factor is around 53% 
> (100% identity), after rigid body refinement its showing around 49% and after 
> restrained refinement its showing around 47%. Highest resolution is 2.5A.
> 
> Regards
> 
> Dipankar
> 
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- -- 
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

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