MX Core

NE-CAT拥有两条成熟的、最先进的光束线，针对大分子晶体学进行了优化， APS。大分子晶体学（MX）资源操作核心的目标是为用户提供 进入这些设施，维护这些设施，并进行改进，使NE-CAT保持状态- 提供访问的最重要组成部分是用户支持和培训。用户支持 需要大约四个FTE，由八名科学家组成。大约两个全职员工致力于 用户培训和推广，以及大约两个FTE，用于光束线硬件和软件维护， 发展MX Core为现场和远程用户提供24/7的访问，无论是现场还是随叫随到。它 维护硬件和软件，以实现准确、高速的数据收集，包括晶体筛选， SAD/MAD定相、分子置换定相、高分辨率数据采集以及用于 从挑战性（“病理性”）晶体获得数据。NE-CAT提供超稳定的小X射线束， 各种微束应用。特殊的扫描技术允许用户改善晶体损伤， 在不透明介质中定位晶体，并评估较大的不均匀区域内局部区域的质量 晶体MX Core还提供了对RAPD、NE-CAT自动数据收集和分析的完全访问 软件MX Core将通过以下方式保持现有光束线硬件和软件的最佳性能： 为支持老化的MD 2微衍射仪和样品自动计数器制定了明确的长期计划， 用于提供运动控制系统、临界真空和超临界真空泵的日常维护，以及 单色器低温泵。MX核心还将维护计算机集群、光束线和数据分析 计算机、磁盘存储系统和网络基础设施。某些改进将是必要的， 保持NE-CAT设备处于最先进的水平。这些设备分为三个领域：（1）光束线光学和 仪器，（2）计算基础设施和（3）RAPD软件。光束线光学系统的计划包括 升级两条光束线上的水平聚焦镜系统， 24-ID-C单色仪的改进，MD 2可视化系统的改进， 24-ID-E上的二次聚焦光学系统这些修改和改进与APS兼容 升级，预计在2023年。计算升级包括向计算集群添加更快的节点， 用于数据收集的额外磁盘存储，以及网络基础设施的升级。最后，我们将实施 新的外部开发的数据处理和分析程序，以保持最先进的技术，以及 我们将开发自动晶体筛选和评分系统。

NE-CAT operates two mature, state-of-the-art beamlines optimized for macromolecular crystallography at the APS. The goal of the Macromolecular Crystallography (MX) Resource Operations Core is to provide user access to these facilities, to maintain the facilities, and to make improvements so that NE-CAT remains state- of-the-art. The most important component for providing access is user support and training. User support requires about four FTE's, made up by contributions from eight staff scientists. About two FTEs are devoted to user training and outreach, and about two FTEs, to beamline hardware and software maintenance and development. The MX Core provides access 24/7, either on-site or on-call, for both on-site and remote users. It maintains hardware and software for accurate, high speed data collection, including crystal screening, SAD/MAD phasing, molecular replacement phasing, high resolution data acquisition, and methods for obtaining data from challenging ("pathological") crystals. NE-CAT provides ultrastable, small X-ray beams for a variety of microbeam applications. Special scanning techniques allow the user to ameliorate crystal damage, locate crystals in opaque media, and assess the quality of localized regions within larger, inhomogeneous crystals. The MX Core also provides full access to RAPD, NE-CAT's automated data collection and analysis software. The MX Core will maintain existing beamline hardware and software at peak performance, through a well defined, long-term plan for supporting the aging MD2 microdiffractometers and sample automounters and for providing routine maintenance of motion control systems, critical vacuum and ultrahigh vacuum pumps, and monochromator cryopumps. The MX Core will also maintain computer clusters, beamline and data analysis computers, disk storage systems, and network infrastructure. Certain improvements will be essential for keeping NE-CAT facilities at state-of-the-art. These fall into three areas: (1) beamline optics and instrumentation, (2) computing infrastructure, and (3) RAPD software. Plans for beamline optics include upgrades of the horizontal focusing mirror systems on both beamlines, installation of a ganged channel-cut monochromator on 24-ID-C, improvements in the MD2 visualization system, and improvements of the secondary focusing optics on 24-ID-E. These modifications and improvements are compatible with the APS upgrade, anticipated in 2023. Computing upgrades include addition of faster nodes to the compute clusters, additional disk storage for data collection, and upgrades of network infrastructure. Finally, we will implement new externally developed data processing and analysis routines, to maintain state-of-the-art techniques, and we will develop automated crystal screening and scoring systems.