Round A R, Franke D, Moritz S, Huchler R, Fritsche M, Malthan D, Klaering R, Svergun D I, Roessle M
EMBL Hamburg, Building 25a, Notkestrasse 85, 22603 Hamburg, Germany.
Fraunhofer Institute for Manufacturing, Engineering and Automation IPA, Department of Production and Process Automation, Nobelstrasse 12, 70659 Stuttgart, Germany.
J Appl Crystallogr. 2008 Aug 16;41(Pt 5):913-917. doi: 10.1107/S0021889808021018. eCollection 2008 Oct 1.
There is a rapidly increasing interest in the use of synchrotron small-angle X-ray scattering (SAXS) for large-scale studies of biological macromolecules in solution, and this requires an adequate means of automating the experiment. A prototype has been developed of an automated sample changer for solution SAXS, where the solutions are kept in thermostatically controlled well plates allowing for operation with up to 192 samples. The measuring protocol involves controlled loading of protein solutions and matching buffers, followed by cleaning and drying of the cell between measurements. The system was installed and tested at the X33 beamline of the EMBL, at the storage ring DORIS-III (DESY, Hamburg), where it was used by over 50 external groups during 2007. At X33, a throughput of approximately 12 samples per hour, with a failure rate of sample loading of less than 0.5%, was observed. The feedback from users indicates that the ease of use and reliability of the user operation at the beamline were greatly improved compared with the manual filling mode. The changer is controlled by a client-server-based network protocol, locally and remotely. During the testing phase, the changer was operated in an attended mode to assess its reliability and convenience. Full integration with the beamline control software, allowing for automated data collection of all samples loaded into the machine with remote control from the user, is presently being implemented. The approach reported is not limited to synchrotron-based SAXS but can also be used on laboratory and neutron sources.
同步加速器小角X射线散射(SAXS)在溶液中生物大分子大规模研究中的应用正迅速受到越来越多的关注,这就需要一种适当的方法来实现实验自动化。现已开发出一种用于溶液SAXS的自动样品更换器原型,其中溶液保存在恒温控制的微孔板中,最多可操作192个样品。测量方案包括控制蛋白质溶液和匹配缓冲液的加载,然后在测量之间对样品池进行清洗和干燥。该系统已在欧洲分子生物学实验室(EMBL)的X33光束线安装并测试,该光束线位于储存环DORIS-III(德国电子同步加速器研究所,汉堡),2007年期间有超过50个外部研究小组使用了该系统。在X33光束线,观察到每小时大约可处理12个样品,样品加载失败率低于0.5%。用户反馈表明,与手动填充模式相比,光束线用户操作的易用性和可靠性有了很大提高。该样品更换器由基于客户端-服务器的网络协议进行本地和远程控制。在测试阶段,样品更换器以有人值守模式运行,以评估其可靠性和便利性。目前正在实现与光束线控制软件的完全集成,允许用户通过远程控制对加载到机器中的所有样品进行自动数据采集。所报道的方法不仅限于基于同步加速器的SAXS,也可用于实验室和中子源。