Re: [ccp4bb]: free R not refining beyond 45%

[Anastassis Perrakis <perrakis@nki.nl>]

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vgupta wrote:

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> 
> Hello,
> 
> I am trying to refine a structure (molecular replacement solution) in CNS and 
> though the map looks very good it does not refine beyond Free R=45% and 
> crystallographic R=36%. I have two molecules in the assymetric unit. I am also 
> sure of my space group as this is the only good solution obtained in AMORE 
> (corr.=59% and R=40%).
> If anybody had experienced the same i would be happy to know how to get around 
> this problem.
> thanks,
> 

Well, I always thought that emails to ccp4bb should rather start as:

"I am trying to refine a structure (molecular replacement solution) in 
REFMAC ...."

;-)

in any case, you can of course try REFMAC together with ARP/wARP. 
http://www.arp-warp.org
For ideas on which protocole to use (that is resolution dependent),
read our paper at the last CCP4 proceedings
(or the manual, but that one is far from brilliant...) .
	
			Tassos

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NKI, Department of Molecular Carcinogenesis
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