Díaz F G, López Cascales J J, García de la Torre J
Departamento de Química Física, Facultad de Ciencias, Universidad de Murcia, Spain.
J Biochem Biophys Methods. 1993 Jul;26(4):261-71. doi: 10.1016/0165-022x(93)90027-l.
We consider the calculation of the angular dependence of the scattering intensities for models composed of spherical elements of arbitrary size, in which some of the spheres may have a size close to that of the whole particle. This minimizes the number of spheres and makes it possible to use the same bead models for the prediction of scattering diagrams and hydrodynamics properties. A simple expression is employed for the scattering intensity. Particularly, we discuss the validity of some versions of the Debye scattering equation for bead models. The method could be used for any macromolecule either rigid or with conformational variability. The application of the method to a simple model for IgG1 shows that influence of flexibility in the scattering curve is stronger by the end of the first decade of decay and also shows that the range of linearity in the Guinier region is not a good method to characterize flexibility between arms, because it is very likely that experimental errors will hide the small differences between the extreme cases appreciated in our calculations.
我们考虑计算由任意大小的球形元素组成的模型的散射强度的角度依赖性，其中一些球体的大小可能接近整个粒子的大小。这将球体数量减至最少，并使得能够使用相同的珠子模型来预测散射图和流体动力学性质。散射强度采用了一个简单的表达式。特别地，我们讨论了珠子模型的德拜散射方程某些版本的有效性。该方法可用于任何刚性或具有构象变异性的大分子。将该方法应用于IgG1的一个简单模型表明，在衰变的第一个十年末期，柔性对散射曲线的影响更强，并且还表明，吉尼尔区域的线性范围不是表征臂间柔性的好方法，因为实验误差很可能会掩盖我们计算中所认识到的极端情况之间的微小差异。
