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Dear Annemarie,

This could be a reaction product of the PMSF with either tris or alanine (as 
you have
modeled, but you should know the source).

Anthony 
-----------------------------------------------------
Dr. Anthony Addlagatta
Center for Chemical Biology 
Indian Institute of Chemical Technology [IICT]
Tarnaka, Hyderabad
AP-500 607, INDIA
Tel:91-40-27191812
Web: https://sites.google.com/site/chembioliict/home/dr-anthony-addlagatta-1

---------- Original Message -----------
From: Annemarie Weber <[email protected]>
To: [email protected]
Sent: Mon, 3 Feb 2014 17:37:00 +0100
Subject: [ccp4bb] unexplained density

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> 
> Dear all,
> I am refining a 1.4 A resolution structure and found some well-defined 
> but unfortunately unexplained density. The protein was purified in HEPES 
> buffer with PMSF and protease inhibitor cocktail tablets (Roche) added. 
> It was cocrystallized with AMPPNP in PEG2000MME and Tris. I modelled a 
> molecule into the density, which fits quite well but I do not know what 
> it is and how it got there. Attached are two pictures with the 
> difference density and the molecule I modelled in there.
> Has anybody seen something like this before? Maybe some degradation 
> product of the buffer/PMSF?
> Any suggestions will be highly welcome.
> Thanks a lot
> Annemarie
------- End of Original Message -------

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