[ccp4bb] Ramchandran outliers

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

Previous message:
Subject: Re: Unexplained density
From: David Schuller djs63 {- at -} CORNELL {- dot -} EDU
Date: 2010-04-30

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Subject: Re: Comparing coordinates
From: Ed Pozharski epozh001 {- at -} UMARYLAND {- dot -} EDU
Date: 2010-04-30

Subject: Ramchandran outliers
From: xaravich ivan xaravich {- dot -} ivan {- at -} GMAIL {- dot -} COM
Date: 2010-04-30

Hi everyone,
I have a few residues sharing hydrogen bonding and salt bridges and they
tend to be fitting the density perfectly, but are Ramchandran outliers,
irrespective of the cycles of refinement.
It seems to me that it might be expected as these residues have some kind of
strained geometry because of the H-bond/ salt bridges.

Am I correct or should I worry.

Also I have around 1200 residues in my structure and there are about 12-14
outliers (including those mentioned above) which would not buzz from their
spot.
Should I really worry to get the number of ouliers much below 1% to get the
reviewers nod. What is a good acceptable percentage of outliers in a
structure that is otherwise reasonable?
The Rfactor/Rfree is 23/29 at 2.1 Angs resolution.

Thanks,
Ivan

CCP4bb navigation

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

Previous message:
Subject: Re: Unexplained density
From: David Schuller djs63 {- at -} CORNELL {- dot -} EDU
Date: 2010-04-30

Next message:
Subject: Re: Comparing coordinates
From: Ed Pozharski epozh001 {- at -} UMARYLAND {- dot -} EDU
Date: 2010-04-30