[ccp4bb] phaser: high z score but no sol

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

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Subject: Re: Off-topic: Supplying PDB file to reviewers
From: Vellieux Frederic Frederic {- dot -} Vellieux {- at -} IBS {- dot -} FR
Date: 2012-04-19

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Subject: Re: phaser: high z score but no sol
From: Vellieux Frederic Frederic {- dot -} Vellieux {- at -} IBS {- dot -} FR
Date: 2012-04-19

Subject: phaser: high z score but no sol
From: LISA sciencecry {- at -} GMAIL {- dot -} COM
Date: 2012-04-19

Hi all,

I am trying to solve one structure by molecular replacement with phaser in
CCP4. This a complex of a multi-domain domains with small ligand. I have
structues of this protein in apo state and with other similar ligand. The
space group of this crystal is P21. This crystal should have 4 molecules in
ASU. I used the full protein as model but did get any sol and LLG is below
zero. Then each domain were used as the search models in phaser with
rotation and tranlsation. I can the get high z score (>20), and LLG is
raising. It looks like I get the right sol, but it have more 50 clashes.
Why phaser give wrong sol with so high z socre? Can anyone give me some
suggestion to solve my strucutes? Thank you.
Best

Lisa

CCP4bb navigation

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

Previous message:
Subject: Re: Off-topic: Supplying PDB file to reviewers
From: Vellieux Frederic Frederic {- dot -} Vellieux {- at -} IBS {- dot -} FR
Date: 2012-04-19

Next message:
Subject: Re: phaser: high z score but no sol
From: Vellieux Frederic Frederic {- dot -} Vellieux {- at -} IBS {- dot -} FR
Date: 2012-04-19