[ccp4bb] Vapor diffusion calculator

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

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Subject: BCA/CCP4 XVII Summer School in Protein Crystallography 5th-10th Spetember 2010
From: Elspeth Garman elspeth {- dot -} garman {- at -} BIOCH {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2010-02-03

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Subject: Re: Vapor diffusion calculator
From: Imre Toeroe toro {- at -} EMBL {- dot -} DE
Date: 2010-02-03

Subject: Vapor diffusion calculator
From: Clemens Grimm Clemens {- dot -} Grimm {- at -} BIOZENTRUM {- dot -} UNI-WUERZBURG {- dot -} DE
Date: 2010-02-03

regardless of what such a (kinetic) calculator will calculate at the end -
we will have to feed it with data of the type "vapour pressure vs.
concentration and temperature" of substance X. Even without a whole
simulation tool for the kinetics of a vapour diffusion experiment this
will already enable us to tell what the equilibrium state/endpoint of
the experiment will be.
As the substances we are interested in are typically stuff like PEGs
and at very high concentration (non-ideal behaviour!), we will need
experimental data. For some salts there are tables. But for PEGs etc.
this has to be generated. I feel that only having this kind of data at
hand would already be tremendously useful!

Clemens

Zitat von Jacob Keller :

Dear Crystallographers,

Is anybody aware of a calculator for vapor diffusion experiments to
plot concentrations of various solvent components as a function of
time? For a simple example, what happens when I mix a protein solution
containing 50mM NaCl 1:1 with a reservoir containing 50% MPD but no
salt? Where is the vapor diffusion equilibrium, and how does the drop
composition change as a function of time? More complicated would be
experiments involving volatile components other than water, as I
think, for example, ethanol would almost instantly equilibrate, then
the water diffusion would kick in over a longer time scale. Even more
complicated would be pH-dependent volatilities such as acetate. I
don't think this would be impossible to figure out, but it would be
nice if there were a pre-existing tool/server to do such.

Regards,

Jacob Keller

*******************************************
Jacob Pearson Keller
Northwestern University
Medical Scientist Training Program
Dallos Laboratory
F. Searle 1-240
2240 Campus Drive
Evanston IL 60208
lab: 847.491.2438
cel: 773.608.9185
email: j-keller2@northwestern.edu
*******************************************

--------------------------------------------------
Dr. Clemens Grimm
Institut für Biochemie
Biozentrum der Universität Würzburg
Am Hubland
D-97074 Würzburg
Germany
e-mail: Clemens.Grimm@biozentrum.uni-wuerzburg.de
phone : +49 0931 888 84031
-------------------------------------------------

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

Next message:
Subject: Re: Vapor diffusion calculator
From: Imre Toeroe toro {- at -} EMBL {- dot -} DE
Date: 2010-02-03