Re: [ccp4bb] Reindexing P21.. the process?

- Protein crystallography

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

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Subject: Re: verifying a molecular replacement solution (test case where the true structure is known)
From: Ian Tickle I {- dot -} Tickle {- at -} ASTEX-THERAPEUTICS {- dot -} COM
Date: 2010-01-18

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Subject: Re: 3D fitting
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2010-01-18

Subject: Re: Reindexing P21.. the process?
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2010-01-18

Francis E Reyes wrote:
> Hi all
>
> I have data integrated and scaled to P21 via denzo/scalepack. I'm concerned about
> the workflow to obtain the alternate indexing arrangement (h,k,l) -> (h,-k,-h-l).
>
> I was thinking .sca ( not specifying NO MERGE) -> .mtz -> reindex but the
> documentation for reindex says all my DANO columns are 'negated' ( I do not
> specify NOREDUCE). So I must run truncate on the reindexed intensities to
> recalculate F(+/-) and DANO/SIGDANO) ?
>
> Thanks
>
> FR

I would not do any reindexing till all the processing is finished, then
reindex the truncated output file.

There are many ways to kill a pig as they say but that is the simplest..
Eleanor

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

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Subject: Re: 3D fitting
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2010-01-18