School of Physics A28, The University of Sydney, NSW 2006, Australia.
Applied Physics Department, RMIT University, LaTrobe Street, Melbourne, Australia.
Acta Crystallogr A Found Adv. 2020 Jul 1;76(Pt 4):468-473. doi: 10.1107/S2053273320005276. Epub 2020 May 20.
The Debye scattering equation is now over 100 years old and has been widely used to interpret diffraction patterns from randomly oriented groups of atoms. The present work develops and applies a related equation that calculates diffraction intensity from groups of atoms randomly oriented about a fixed axis, a scenario that occurs when molecules are oriented at an interface by the presentation of a binding motif as in antibody binding. Using an example biomolecule, the high level of sensitivity of the diffraction pattern to the orientation of the molecule and to the direction of the incident beam is shown. The use of the method is proposed not only for determining the orientation of molecules in biosensors and at membrane interfaces, but also for determining molecular conformation without the need for crystallization.
德拜散射方程已经有 100 多年的历史了，被广泛用于解释各向同性原子群的散射图谱。目前的工作开发并应用了一个相关的方程，用于计算固定轴各向同性原子群的散射强度，这种情况发生在分子通过呈现结合基序（如抗体结合）在界面处取向时。使用一个生物分子的例子，显示了衍射图谱对分子取向和入射光束方向的高度敏感性。该方法不仅可用于确定生物传感器和膜界面中分子的取向，还可用于确定分子构象，而无需结晶。
