title: Competition between monomeric and dimeric crystals in schematic models for globular proteins.
abstract: Advances in experimental techniques and in theoretical models have improved our understanding of protein crystallization. However, they have also left open questions regarding the protein phase behavior and self-assembly kinetics, such as why (nearly) identical crystallization conditions can sometimes result in the formation of different crystal forms. Here, we develop a patchy particle model with competing sets of patches that provides a microscopic explanation of this phenomenon. We identify different regimes in which one or two crystal forms can coexist with a low-density fluid. Using analytical approximations, we extend our findings to different crystal phases, providing a general framework for treating protein crystallization when multiple crystal forms compete. Our results also suggest different experimental routes for targeting a specific crystal form, and for reducing the dynamical competition between the two forms, thus facilitating protein crystal assembly.
authors.affiliation: Program in Computational Biology and Bioinformatics, Duke University , Durham, North Carolina 27708, United States.
authors.forename: Diana
authors.initials: D
authors.lastname: Fusco
authors.forename: Patrick
authors.initials: P
authors.lastname: Charbonneau
mesh_terms: D018360:Crystallography, X-Ray; D019281:Dimerization; D009010:Monte Carlo Method; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
chemical_list: D011506:Proteins