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Upgrade of MacCHESS facility for X-ray scattering of biological macromolecules in solution

机译:升级MacCHESS设备以对溶液中的生物大分子进行X射线散射

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摘要

X-ray scattering of biological macromolecules in solution is an increasingly popular tool for structural biology and benefits greatly from modern high-brightness synchrotron sources. The upgraded MacCHESS BioSAXS station is now located at the 49-pole wiggler beamline G1. The 20-fold improved flux over the previous beamline F2 provides higher sample throughput and autonomous X-ray scattering data collection using a unique SAXS/WAXS dual detectors configuration. This setup achieves a combined q-range from 0.007 to 0.7 Å−1, enabling better characterization of smaller molecules, while opening opportunities for emerging wide-angle scattering methods. In addition, a facility upgrade of the positron storage ring to continuous top-up mode has improved beam stability and eliminated beam drift over the course of typical BioSAXS experiments. Single exposure times have been reduced to 2 s for 3.560 mg ml−1 lysozyme with an average quality factor I/σ of 20 in the Guinier region. A novel disposable plastic sample cell design that incorporates lower background X-ray window material provides users with a more pristine sample environment than previously available. Systematic comparisons of common X-ray window materials bonded to the cell have also been extended to the wide-angle regime, offering new insight into best choices for various q-space ranges. In addition, a quantitative assessment of signal-to-noise levels has been performed on the station to allow users to estimate necessary exposure times for obtaining usable signals in the Guinier regime. Users also have access to a new BioSAXS sample preparation laboratory which houses essential wet-chemistry equipment and biophysical instrumentation. User experiments at the upgraded BioSAXS station have been on-going since commissioning of the beamline in Summer 2013. A planned upgrade of the G1 insertion device to an undulator for the Winter 2014 cycle is expected to further improve flux by an order of magnitude.
机译:溶液中生物大分子的X射线散射是用于结构生物学的一种越来越流行的工具,并且极大地受益于现代高亮度同步加速器源。升级后的MacCHESS BioSAXS测站现在位于49极摆动光束线G1上。使用独特的SAXS / WAXS双探测器配置,通量比以前的光束线F2提高了20倍,可提供更高的样品通量和自主X射线散射数据收集。此设置实现了0.007至0.7?Å −1 的组合q范围,从而可以更好地表征较小的分子,同时为新兴的广角散射方法提供了机会。此外,在典型的BioSAXS实验过程中,将正电子存储环升级为连续充值模式的功能提高了光束稳定性,并消除了光束漂移。在Guinier地区,平均质量因子I /σ为20的3.560μg/ ml -1 溶菌酶的单次暴露时间已降至2μs。一种新颖的一次性塑料样品池设计,结合了较低的背景X射线窗口材料,为用户提供了比以前更原始的样品环境。结合到电池上的常见X射线窗口材料的系统比较也已扩展到广角状态,从而为各种q空间范围内的最佳选择提供了新的见识。此外,已经对该台进行了信噪比水平的定量评估,以使用户能够估算必要的暴露时间,以便在吉尼尔系统中获得可用信号。用户还可以使用新的BioSAXS样品制备实验室,该实验室配有必要的湿化学设备和生物物理仪器。自2013年夏季启用束流线以来,升级后的BioSAXS站的用户实验一直在进行。计划在2014年冬季将G1插入设备升级为波状起伏器,有望进一步提高通量一个数量级。

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