Re: [ccp4bb] Poinless and space group P 4 3 2

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

Previous message:
Subject: Re: Problematic P2 dataset with pseudotranslation
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-11-19

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Subject: Re: SORTMTZ error status = 256
From: hari jayaram harijay {- at -} GMAIL {- dot -} COM
Date: 2007-11-19

Subject: Re: Poinless and space group P 4 3 2
From: Airlie McCoy ajm201 {- at -} CAM {- dot -} AC {- dot -} UK
Date: 2007-11-19

Manfred was kind enough to give us the data to check his F432 case with
Phaser, and I am happy to say that in our hands the solution was clear,
with TFZ=23, however the model had 16 clashes and so the default job did
not report a solution. This has inspired us to look again at being able to
detect cases where there is a clear solution but that loop variations
between the model and target cause Phaser to throw out solutions because
they fail the packing test.

Airlie McCoy

On Nov 13 2007, Manfred S. Weiss wrote:

>Dear Kristof,
>
>I recently had lots of trouble with molrep in space group
>F432. Both Phaser and Molrep failed, only Amore produced
>a solution.
>
>Hope that helps.
>
>Manfred.
>
>
>********************************************************************
>* *
>* Dr. Manfred S. Weiss *
>* *
>* Team Leader *
>* *
>* EMBL Hamburg Outstation Fon: +49-40-89902-170 *
>* c/o DESY, Notkestr. 85 Fax: +49-40-89902-149 *
>* D-22603 Hamburg Email: msweiss@embl-hamburg.de *
>* GERMANY Web: www.embl-hamburg.de/~msweiss/ *
>* *
>********************************************************************
>
>
>On Tue, 13 Nov 2007, Kristof Van Hecke wrote:
>
>> Dear all,
>>
>> When running Pointless 1.2.0 (see summary below), I get the cubic
>> space group P 4 3 2
>> (mosflm gave P 2 3 or P 4 3 2)
>>
>>
>>
>> Best Solution space group P 4 3 2
>> Reindex operator: [h,k,l]
>> Laue group probability: 1.000
>> Systematic absence probability: 0.975
>> Total probability: 0.975
>> Space group confidence: 0.964
>> Laue group confidence 1.000
>>
>>
>>
>> However, although I have multiple models (ensemble) with
>> approximately 30% sequence identity (44% homology), I'm not able to
>> get any reasonable solution with Phaser.
>> As we know the protein can form dimers and even trimers, is it
>> possible that Poinless is giving a higher space group because of
>> pseudo-symmetry in this case..?
>>
>> Does anyone has got experience with Pointless and this kind of space
>> group please..?
>>
>> Many thanks
>>
>> Kristof
>>
>>
>> --------------------------------------
>> Kristof Van Hecke, PhD
>> Biomoleculaire Architectuur
>> Celestijnenlaan 200 F
>> B-3001 Heverlee (Leuven)
>> Tel: +32(0)16327477
>> --------------------------------------
>>
>>
>>
>>
>>
>> Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
>>
>>
>

CCP4bb navigation

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

Previous message:
Subject: Re: Problematic P2 dataset with pseudotranslation
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-11-19

Next message:
Subject: Re: SORTMTZ error status = 256
From: hari jayaram harijay {- at -} GMAIL {- dot -} COM
Date: 2007-11-19