Re: [ccp4bb] weird thing about MR

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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From: Kyeong Kyu Kim kkim {- at -} MED {- dot -} SKKU {- dot -} AC {- dot -} KR
Date: 2007-04-30

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Subject: Re: weird thing about MR
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-04-30

You say you have only found one of at least 3 copies?
Why not continue and find the other 2 before starting refinement? Phaser
will do that automatically if you ask for 3 molecules..
Refinement of structural fragments is always tricky..
Eleanor

Yi Xue wrote:
> Dear all:
>
> I have a dataset diffracted to about 3A, and it is supposed to be
> protein/DNA complex. The spacegroup could be I4, I422, I222, or F222.
> I used the protein structure to start molecular replacement. There are
> three copies of complexes if assuming I422 symmetry. For the search of the
> first copy (phaser), the top solution had very good RFZ (7.4) and TFZ
> (18.1), meanwhile, there were total 44 good solutions, with RFZ>7 and
> TFZ>14. However, subsequent rigid body refinment of the top solution gave
> very high R and Rfree of around 80%. I tried all choices of space groups,
> briefly, they behaved similarly: MR found good solutions, R and Rfree were
> weirdly high.
>
> I was thinking maybe the spacegroup is wrong, I checked the data very
> carefully, and it seemed that the spacegroups I had chosen should be right.
> Any comments are highly appreciated.
>
>
> Best
> Yi
>
>
>

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Postdoc position in Korea (Samsung Biomedical Research Institute)
From: Kyeong Kyu Kim kkim {- at -} MED {- dot -} SKKU {- dot -} AC {- dot -} KR
Date: 2007-04-30

Next message:
Subject: TFT monitors n stereo
From: Vineet Gaur vineetgaur1982 {- at -} GMAIL {- dot -} COM
Date: 2007-04-30