[ccp4bb] matrix weighting term

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

Previous message:
Subject: Senior Crystallography Position
From: Gina Clayton gc2381 {- at -} BIOLOGY {- dot -} COLUMBIA {- dot -} EDU
Date: 2009-03-11

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Subject: Refs. for alpha-helical propensity of varying homopolymer lengths
From: Mo Wong mowong22 {- at -} GMAIL {- dot -} COM
Date: 2009-03-11

Subject: matrix weighting term
From: "Nalam, Madhavi" Madhavi {- dot -} Nalam {- at -} UMASSMED {- dot -} EDU
Date: 2009-03-11

Hello:
We are trying to refine a structure at 2.8 A using restrained refinement/TLS and restrained refinement.

I have to decrease the matrix weighting term to 0.06 to keep the rms bond and rms angles close to 0.015 and 1.5 respectively. Is it ok to decrease the weighting term to this low? I tried to read about this but couldn't really find as to what values of weighting term can we go for a particular resolution.

Also, I had to increase the overall weights for distance and angle to 1.5 and 1.4 respectively along with the matrix weight of 0.06 to get the above mentioned rms bond and angle values. Upto what values can we go for the overall weights? A colleague told me that I should not go below 0.1 for weighting term but can go up to 2.5 for overall weights for distance and angle. Is this true?

Thanks in advance,
Regards,
Madhavi

CCP4bb navigation

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

Previous message:
Subject: Senior Crystallography Position
From: Gina Clayton gc2381 {- at -} BIOLOGY {- dot -} COLUMBIA {- dot -} EDU
Date: 2009-03-11

Next message:
Subject: Refs. for alpha-helical propensity of varying homopolymer lengths
From: Mo Wong mowong22 {- at -} GMAIL {- dot -} COM
Date: 2009-03-11