Re: [ccp4bb] co-crystallization VS crystal soaking

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

Previous message:
Subject: what happen dring the solubilization process of membrane protein?
From: ºâ½Ü qqyeke {- at -} 126 {- dot -} COM
Date: 2010-05-15

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Subject: Re: what happen dring the solubilization process of membrane protein?
From: "Edward A {- dot -} Berry" BerryE {- at -} UPSTATE {- dot -} EDU
Date: 2010-05-15

Subject: Re: co-crystallization VS crystal soaking
From: Jürgen_Bosch jubosch {- at -} JHSPH {- dot -} EDU
Date: 2010-05-15

Hi Rain,

try both is my advice.
In some cases we (www.sgpp.org) were unsuccessful in soaking but successful in co-crystallization. I assume your question is directed towards ligands. If you are in the comfortable situation of having your own structure at hand, check out a) crystal lattice contacts - would they hamper soaking by restricting access to your site ? b) do you want to exchange an existing ligand/co-factor in your protein, then it's probably more likely to occur in solution c) how's your ligand behaving under your crystallization condition, if it crashes out try to form a complex in solution and then co-crystallize.
Another tip, use your apo-form crystals to streak seed crystallization attempts with new ligands. When you co-crystallize play with the molarity ratio of your ligand.

Jürgen

Bosch et al. Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase. J Med Chem (2006) vol. 49 (20) pp. 5939-46

@Eric, can you comment on this:
Ojo et al. Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors. Nat Struct Mol Biol (2010) vol. 17 (5) pp. 602-7

On May 15, 2010, at 7:47 AM, rainfieldcn wrote:

> Hi, friends:
> Is there any published paper describing the case study of the difference between co-crystallization and crystal soaking?
> I mean has anybody observed different structures by these two methods?
> Thank you!
>
> Rain Fieldcn
> 2010-05-15

-
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Phone: +1-410-614-4742
Lab: +1-410-614-4894
Fax: +1-410-955-3655
http://web.mac.com/bosch_lab/

CCP4bb navigation

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

Previous message:
Subject: what happen dring the solubilization process of membrane protein?
From: ºâ½Ü qqyeke {- at -} 126 {- dot -} COM
Date: 2010-05-15

Next message:
Subject: Re: what happen dring the solubilization process of membrane protein?
From: "Edward A {- dot -} Berry" BerryE {- at -} UPSTATE {- dot -} EDU
Date: 2010-05-15