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首页> 外文期刊>Crystal growth & design >Measurement and Modeling of Protein Crystal Nucleation Kinetics
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Measurement and Modeling of Protein Crystal Nucleation Kinetics

机译：蛋白质晶体成核动力学的测量和建模

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摘要

Nucleation kinetics of tetragonal he egg-white lysozyme obtained by the method of initial rates are reported. Sodium chloride (NaCl), ranging in concentration from 2% (w/v) to 7% (w/v), was used as the precipitant. Data are modeled using an empirical kinetic expression based on classical nucleation theory. The expression contains a preexponential factor, A, and an exponential factor, B, related to the surface energy between crystal and solution. The parameters A and B were evaluated from the experimental data using standard nonlinear regression techniques. The trends in the experimental data suggest that two nucleation mechanisms may exist: heterogeneous nucleation at lower protein concentrations and homogeneous nucleation at higher protein concentrations. Accordingly, the data were split into two regions and the model parameters were estimated separately in individual regions. Within both regions, parameter B varied little with ionic strength. In the homogeneous range, the preexponential factor, A, increased monotonically with salt concentration and correlated with trends observed in osmotic second virial coefficients and solubility. The implications of such a correlation to globular protein nucleation kinetics are discussed.
机译：报道了通过初始速率法获得的四方he蛋清溶菌酶的成核动力学。浓度从2％（w / v）到7％（w / v）的氯化钠（NaCl）被用作沉淀剂。使用基于经典成核理论的经验动力学表达式对数据进行建模。该表达式包含与晶体和溶液之间的表面能有关的预指数因子A和指数因子B。使用标准非线性回归技术从实验数据评估参数A和B。实验数据的趋势表明，可能存在两种成核机制：较低蛋白质浓度下的异质成核和较高蛋白质浓度下的均质成核。因此，将数据分为两个区域，并分别在各个区域中估计模型参数。在两个区域内，参数B随离子强度的变化很小。在均质范围内，指数前因子A随着盐浓度单调增加，并且与渗透第二维里系数和溶解度的趋势相关。讨论了这种相关性对球状蛋白成核动力学的影响。

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