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Protein crystallization: virtual screening and optimization.
Delucas, Lawrence J; Hamrick, David; Cosenza, Larry; Nagy, Lisa; McCombs, Debbie; Bray, Terry; Chait, Arnon; Stoops, Brad; Belgovskiy, Alexander; William Wilson, W; Parham, Marc; Chernov, Nikolai.
Afiliación
  • Delucas LJ; Center for Biophysical Sciences and Engineering, The University of Alabama at Birmingham, Birmingham, AL, USA. delucas@cbse.uab.edu
Prog Biophys Mol Biol ; 88(3): 285-309, 2005 Jul.
Article en En | MEDLINE | ID: mdl-15652246
Advances in genomics have yielded entire genetic sequences for a variety of prokaryotic and eukaryotic organisms. This accumulating information has escalated the demands for three-dimensional protein structure determinations. As a result, high-throughput structural genomics has become a major international research focus. This effort has already led to several significant improvements in X-ray crystallographic and nuclear magnetic resonance methodologies. Crystallography is currently the major contributor to three-dimensional protein structure information. However, the production of soluble, purified protein and diffraction-quality crystals are clearly the major roadblocks preventing the realization of high-throughput structure determination. This paper discusses a novel approach that may improve the efficiency and success rate for protein crystallization. An automated nanodispensing system is used to rapidly prepare crystallization conditions using minimal sample. Proteins are subjected to an incomplete factorial screen (balanced parameter screen), thereby efficiently searching the entire "crystallization space" for suitable conditions. The screen conditions and scored experimental results are subsequently analyzed using a neural network algorithm to predict new conditions likely to yield improved crystals. Results based on a small number of proteins suggest that the combination of a balanced incomplete factorial screen and neural network analysis may provide an efficient method for producing diffraction-quality protein crystals.
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Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Robótica / Proteínas / Modelos Moleculares / Redes Neurales de la Computación / Técnicas Químicas Combinatorias / Análisis de Secuencia de Proteína / Cristalización Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Prog Biophys Mol Biol Año: 2005 Tipo del documento: Article País de afiliación: Estados Unidos
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Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Robótica / Proteínas / Modelos Moleculares / Redes Neurales de la Computación / Técnicas Químicas Combinatorias / Análisis de Secuencia de Proteína / Cristalización Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Prog Biophys Mol Biol Año: 2005 Tipo del documento: Article País de afiliación: Estados Unidos