Phase diagram for a model of urate oxidase

Urate oxidase from Asperigillus flavus has been shown to be a model protein for studying the effects of polyethylene glycol (PEG) on the crystallization of large proteins. Extensive experimental studies based on small angle x-ray scattering [ Vivarès and Bonneté , J. Phys. Chem. B 108 , 6498 ( 2004...

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Bibliographic Details
Published in:The Journal of chemical physics 2007-10, Vol.127 (16), p.165105-165105-5
Main Authors: Wentzel, N., Pagan, D. L., Gunton, J. D.
Format: Article
Language:English
Subjects:
Aspergillus flavus - enzymology
Computer Simulation
Fungal Proteins - chemistry
Models, Chemical
Monte Carlo Method
Phase Transition
Polyethylene Glycols - chemistry
Urate Oxidase - chemistry
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Summary:Urate oxidase from Asperigillus flavus has been shown to be a model protein for studying the effects of polyethylene glycol (PEG) on the crystallization of large proteins. Extensive experimental studies based on small angle x-ray scattering [ Vivarès and Bonneté , J. Phys. Chem. B 108 , 6498 ( 2004 ) ] have determined the effects of salt, p H , temperature, and most importantly PEG on the crystallization of this protein. Recently, some aspects of the phase diagram have also been determined experimentally. In this paper, we use Monte Carlo techniques to predict the phase diagram for urate oxidase in solution with PEG, including the liquid-liquid and liquid-solid coexistence curves. The model used includes an electrostatic interaction, van der Waals attraction, and a polymer-induced depletion interaction [ Vivarès , Eur. Phys. J. E 9 , 15 ( 2002 ) ]. Results from the simulation are compared with experimental results.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2780169