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

["Flip Hoedemaeker" <hoedemae@chem.leidenuniv.nl>]

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To follow up on this, I had success in such a case with wArpNtrace. The
resolution was 1.8 though, I do not know your resolution.

Flip

-----Original Message-----
From: owner-ccp4bb@dl.ac.uk [mailto:owner-ccp4bb@dl.ac.uk]On Behalf Of
Anastassis Perrakis
Sent: Thursday, 29 November, 2001 15:24
To: vgupta

vgupta wrote:

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> ***          CCP4 home page http://www.ccp4.ac.uk         ***
>
> 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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