The current challenges of structural biophysics include determining the structure of large self-assembled complexes, resolving the structure of ensembles of complex structures and their mass fraction, and unraveling the dynamic pathways and mechanisms leading to the formation of complex structures from their subunits. Modern synchrotron solution X-ray scattering data enable simultaneous high-spatial and high-temporal structural data required to address the current challenges of structural biophysics. These data are complementary to crystallography, NMR, and cryo-TEM data. However, the analysis of solution scattering data is challenging; hence many different analysis tools, listed in the SAS Portal (http://smallangle.org/), were developed. In this review, we start by briefly summarizing classical X-ray scattering analyses providing insight into fundamental structural and interaction parameters. We then describe recent developments, integrating simulations, theory, and advanced X-ray scattering modeling, providing unique insights into the structure, energetics, and dynamics of self-assembled complexes. The structural information is essential for understanding the underlying physical chemistry principles leading to self-assembled supramolecular architectures and computational structural refinement.

结构生物物理学当前的挑战包括确定大型自组装复合物的结构，解析复杂结构整体的结构及其质量分数，以及揭示导致其亚基形成复杂结构的动态途径和机制。现代同步加速器解决方案 X 射线散射数据可同时提供解决结构生物物理学当前挑战所需的高空间和高时间结构数据。这些数据是晶体学、NMR 和冷冻 TEM 数据的补充。然而，溶液散射数据的分析具有挑战性；因此，开发了许多不同的分析工具，列在 SAS Portal (http://smallangle.org/) 中。在这篇综述中，我们首先简要总结经典的 X 射线散射分析，以深入了解基本的结构和相互作用参数。然后，我们描述了最新的进展，整合了模拟、理论和先进的 X 射线散射模型，为自组装复合物的结构、能量学和动力学提供了独特的见解。结构信息对于理解导致自组装超分子结构和计算结构细化的基本物理化学原理至关重要。