Kim Yongsam, Nam Ki Hyun
Pohang Accelerator Laboratory, Pohang University of Science and Technology, 37673, Republic of Korea.
College of General Education, Kookmin University, Seoul 02707, Republic of Korea.
Data Brief. 2023 Nov 17;52:109811. doi: 10.1016/j.dib.2023.109811. eCollection 2024 Feb.
Serial synchrotron crystallography (SSX) helps to determine the room-temperature structure of macromolecules with minimal radiation damage. Pink-beam X-ray provides more photon flux than a monochromatic beam, which can increase the diffraction intensity of crystal samples and reduce the issue of partial reflection measurement compared with a monochromatic beam. The demonstration of pink-beam SSX at the 1C beamline at the Pohang Light Source II (PLS-II) was previously reported. The Bragg peaks observed in SSX diffraction data using a pink-beam exhibited a slightly stretched shape, unlike that from a monochromatic beam. Therefore, it is necessary to develop an indexing algorithm that can efficiently process the Bragg peak generated by pink-beam SSX. Therefore, the collected pink-beam SSX diffraction data can be tentatively used to develop an indexing program for Bragg peaks generated using the pink-beam. In this study, detailed information on the diffraction data of pink-beam SSX at PLS-II was reported to access the raw data and process the information.
串行同步加速器晶体学（SSX）有助于在辐射损伤最小的情况下确定大分子的室温结构。粉红光束X射线比单色光束提供更多的光子通量，与单色光束相比，它可以增加晶体样品的衍射强度并减少部分反射测量的问题。之前已有报道在浦项光源II（PLS-II）的1C光束线进行粉红光束SSX的演示。在使用粉红光束的SSX衍射数据中观察到的布拉格峰呈现出略微拉长的形状，这与单色光束的不同。因此，有必要开发一种能够有效处理粉红光束SSX产生的布拉格峰的索引算法。因此，收集到的粉红光束SSX衍射数据可暂用于开发针对粉红光束产生的布拉格峰的索引程序。在本研究中，报告了PLS-II处粉红光束SSX衍射数据的详细信息，以获取原始数据并处理这些信息。
