Re: [ccp4bb] Tough Low-Res MR

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CCP4bb <-- 2008 <-- February 2008 <-- 21 February 2008

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Subject: Re: XDS and overlaps
From: Martin Hallberg Martin {- dot -} Hallberg {- at -} KI {- dot -} SE
Date: 2008-02-21

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Subject: Re: XDS and overlaps
From: Michel Fodje michel {- dot -} fodje {- at -} LIGHTSOURCE {- dot -} CA
Date: 2008-02-21

Subject: Re: Tough Low-Res MR
From: Chavas Leo ccp4hnaalas {- at -} GMAIL {- dot -} COM
Date: 2008-02-21

Dear James --

> I have a tough ~3.5 Å (pushing it) MR problem where I have a
> solution of sorts, but because I'm working with a heterodimer of
> two closely related subunits (with two such heterodimers in the
> ASU) I have a 2**2 possibilities for the arrangement of these
> subunits in the ASU. Each subunit is composed of two more-or-less
> independent domains. Basically I'm looking for the best possible
> software to disambiguate this problem. I usually use CNS for these
> problems, but I think I may have exhausted its capabilities. I've
> heard that there have been some advances in MR in recent years, but
> I haven't kept up with all of the software. Does anyone have
> suggestions for packages to try?

I usually run in parallel Phaser and Balbes (ie Molrep), and check
which one gives me the best solution (stats & map). The wonder with
Balbes is that it tries automatically a large batch of possibilities,
models. Now, as a personal feeling, although I could solve a couple
of structures with Phaser for which I had problems using Molrep, I
often get solutions that overlap / crash with the neighboring
molecule using Phaser. Obviously, this might be due to my low
resolution data (it was around 4 A if I recall correctly), but the
fact that Balbes did worked properly for the same data...

HTH

Kind regards.

Leo
------------------------------------------------------------
Chavas Leonard, Ph.D.
Research Associate
------------------------------------------------------------
Faculty of Life Sciences
The University of Manchester
The Michael Smith Building
Oxford Road
Manchester Lancashire
M13 9PT
------------------------------------------------------------
Tel: +44(0)161-275-1586
e-mail: Leonard.Chavas@manchester.ac.uk

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CCP4bb <-- 2008 <-- February 2008 <-- 21 February 2008

Previous message:
Subject: Re: XDS and overlaps
From: Martin Hallberg Martin {- dot -} Hallberg {- at -} KI {- dot -} SE
Date: 2008-02-21

Next message:
Subject: Re: XDS and overlaps
From: Michel Fodje michel {- dot -} fodje {- at -} LIGHTSOURCE {- dot -} CA
Date: 2008-02-21