Makowski Lee
Biosciences Division, Argonne National Laboratory, Argonne, IL, USA.
J Struct Funct Genomics. 2010 Mar;11(1):9-19. doi: 10.1007/s10969-009-9075-x. Epub 2010 Jan 5.
X-ray solution scattering in both the small-angle (SAXS) and wide-angle (WAXS) regimes is making an increasing impact on our understanding of biomolecular complexes. The accurate calculation of WAXS patterns from atomic coordinates has positioned the approach for rapid growth and integration with existing Structural Genomics efforts. WAXS data are sensitive to small structural changes in proteins; useful for calculation of the pair-distribution function at relatively high resolution; provides a means to characterize the breadth of the structural ensemble in solution; and can be used to identify proteins with similar folds. WAXS data are often used to test structural models, identify structural similarities and characterize structural changes. WAXS is highly complementary to crystallography and NMR. It holds great potential for the testing of structural models of proteins; identification of proteins that may exhibit novel folds; characterization of unfolded or natively disordered proteins; and detection of structural changes associated with protein function.
小角（SAXS）和广角（WAXS）X射线溶液散射对我们理解生物分子复合物的影响日益增大。根据原子坐标精确计算WAXS图谱，为该方法的快速发展以及与现有结构基因组学研究的整合奠定了基础。WAXS数据对蛋白质的微小结构变化敏感；有助于在相对高分辨率下计算对分布函数；提供了一种表征溶液中结构集合广度的方法；并且可用于识别具有相似折叠的蛋白质。WAXS数据常被用于测试结构模型、识别结构相似性以及表征结构变化。WAXS与晶体学和核磁共振高度互补。它在测试蛋白质结构模型、识别可能呈现新折叠的蛋白质、表征未折叠或天然无序的蛋白质以及检测与蛋白质功能相关的结构变化方面具有巨大潜力。
