Re: [ccp4bb] . .

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From: Emmanuel Prata emmanuelprata {- at -} GMAIL {- dot -} COM
Date: 2007-05-11

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Subject: Re: xsect.dat=cossec.lib?
From: Ethan Merritt merritt {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2007-05-11

Subject: Re: . .
From: "Kerr, Iain" Iain {- dot -} Kerr {- at -} STJUDE {- dot -} ORG
Date: 2007-05-11

Hi Emmanuel,

Perhaps a little more information ?

What was the Z-score and LLG in PHASER ? I take it the translation
function solution is fairly well separated from the rest ? Are you sure
the spacegroup is correct ? How complete is the model before refinement
?

Not to be paranoid, but Hexagonal/Trigonal settings support merohedral
twinning...

best,
Iain

-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
Emmanuel Prata
Sent: Friday, May 11, 2007 10:27 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb]. .

Dear all,

I have a structure (with 6 dissulphide bridges) at fairly low
resolution (3A) that I am trying to refine with Refmac. I've used
phaser with a template with 72% sequence identity. RFZ was 3.4 and TFZ
6.6, without clashes, with 80.7% of completeness. Space group was
p3121 (pointless) and Rmerge 0.12. When i tried refmac, Rfac drop to
24%, but Rfree only drop to 41%.
Can anybody explain this fact?

Thanks in advance,

Emmanuel Prata de Souza

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CCP4bb <-- 2007 <-- May 2007 <-- 11 May 2007

Previous message:
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From: Emmanuel Prata emmanuelprata {- at -} GMAIL {- dot -} COM
Date: 2007-05-11

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Subject: Re: xsect.dat=cossec.lib?
From: Ethan Merritt merritt {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2007-05-11