Re: [ccp4bb] luzzati numbers in ccp4/refmac

- Protein crystallography

Main steps:

- Protein purification
- Crystallisation

Special:

- Programs for crystallography
- X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

- CCP4BB

CCP4bb navigation

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

Previous message:
Subject: Re: MTZ to Shel-X?
From: Martin Hallberg Martin {- dot -} Hallberg {- at -} KI {- dot -} SE
Date: 2007-03-05

Next message:
Subject: SUMMARY: Main topic of the day: Protein crystallization
From: Ronaldo Alves Pinto Nagem nagem {- at -} ICB {- dot -} UFMG {- dot -} BR
Date: 2007-03-05

Subject: Re: luzzati numbers in ccp4/refmac
From: Edwin Pozharski epozh001 {- at -} UMARYLAND {- dot -} EDU
Date: 2007-03-05

I guess John was referring to PDB requirements. CNS reports "sigmaa
coordinate error", "cross-validated luzzati coordinate error" and
"cross-validated sigmaa coordinate error" - I always thought this is
what PDB means. If I refined structure with refmac, I just leave these
blank.

Ethan Merritt wrote:
> On Thursday 01 March 2007 10:32, John Bruning wrote:
>
>> Where can I generate the following numbers in CCP4 coming with pdb and mtz from Refmac?
>>
>> Luzzati SigmaA (obs)
>> Luzzati ESD (R-free set)
>> Luzzati SigmaA (R-free set).
>>
>
> The answer is that you should not be using Luzatti plots to estimate error.
> (Actually, I'm not sure what "Luzatti SigmaA Rfree" means in the first
> place).
>
> You should instead use the ESU values from either Maximum Likelihood
> or from the Cruickshank DPI empirical indices. These are given
> in the PDB file output by refmac.
>
>
>
>

--
Edwin Pozharski, PhD, Assistant Professor
University of Maryland, Baltimore
----------------------------------------------
When the Way is forgotten duty and justice appear;
Then knowledge and wisdom are born along with hypocrisy.
When harmonious relationships dissolve then respect and devotion arise;
When a nation falls to chaos then loyalty and patriotism are born.
------------------------------ / Lao Tse /

CCP4bb navigation

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

Previous message:
Subject: Re: MTZ to Shel-X?
From: Martin Hallberg Martin {- dot -} Hallberg {- at -} KI {- dot -} SE
Date: 2007-03-05

Next message:
Subject: SUMMARY: Main topic of the day: Protein crystallization
From: Ronaldo Alves Pinto Nagem nagem {- at -} ICB {- dot -} UFMG {- dot -} BR
Date: 2007-03-05