High quality and high throughput Small‐Angle X‐ray Scattering

TOC 2：高质量和高通量小角X射线散射 一个序列尺度结构的观点，结合对这些结构如何变化的理解 在功能是基本的机械洞察生物分子，可以获得 结合小角X射线散射（SAXS）和高分辨率的结构快照。 此外，通过SAXS有效地鉴定促进最大表达的条件和构建体， 构象和组装中的结构均匀性非常有利于捕获高- 无论是电子显微镜（EM）、大分子X射线晶体学 (MX)或核磁共振（NMR）。SIBYLS集团一直致力于开发 一个富有成效的SAXS社区，并为结构生物学提供强大的SAXS工具。通过 ALS-ENABLE，TOC 2将为数百个NIH提供高效的SAXS分析 investigators. 通过利用为高通量（HT）检测开发的成熟技术，SIBYLS 增加SAXS通量并将样本量减少10倍。HT-SAXS转换成更大的 为更多的研究人员和项目提供访问权限。然而，为了最大限度地提高SIBYLS的这种转变， NIH的用户，我们必须开发一个支持基础设施，建立一个同样有效的管道 从调查人员发送样本到他们收到处理过的数据。的中国梦作出 利用共享资源和规模经济，通过ALS-ENABLE支持 先进的网络工具，提供了一个管道，在很大程度上依赖于强大的计算基础设施， 组织、处理和存储数据。这些工具和技术选择委员会第二次会议的活动旨在促进 富有成效的调查员和光束线工作人员的互动。我们采用的先进技术将 产生大量的数据，这使得所有的数据处理步骤都必须被调整， 我们的同行所取得的巨大发展可以得到有效应用。同时，TOC 2将适用于 自动化数据分析，使没有SAXS经验的用户可以有效地提取有用的信息。 HT-SAXS吞吐量的显著增加使得有时间支持用户进行大小排阻- 色谱和时间分辨SAXS（SEC-SAXS和TR-SAXS）。这些现有能力是 我们的新探测器技术大大增强了它的性能基于我们的HT-SAXS框架，TOC 2将 大大增加这些技术的使用，以满足日益增长的需求。对于HT-SAXS分析， SEC-SAXS和TR-SAXS数据TOC 2将为我们提供计算工具， 另一些则是可通过网络访问的应用程序。通过与ALS所有组成部分的战略伙伴关系- ENABLE，并遵循TOC 2目标，我们将使SAXS成为工作流的一个自然部分， 任何使用同步加速器技术的项目。我们增加了SAXS实验的价值， 增加可获得性-提供数量上的质量。

Project Summary TOC2: High quality and high throughput Small Angle X-ray Scattering A sequence scale structural perspective coupled to an understanding of how these structures change during function is fundamental for mechanistic insights into bio-molecules and can be obtained by combining Small Angle X-ray Scattering (SAXS) with high-resolution snapshots of structure. Furthermore, efficiently identifying the conditions and constructs by SAXS that promote the greatest structural homogeneity in conformation and assembly is hugely advantageous to capture a high- resolution snapshot whether from electron microscopy (EM), macromolecular X-ray crystallography (MX) or nuclear magnetic resonance (NMR). The SIBYLS group has been instrumental in developing a productive SAXS community and advancing powerful SAXS tools for structural biology. Through ALS-ENABLE, TOC2 will provide efficient access to SAXS analyses for hundreds of NIH investigators. By leveraging established technologies developed for high-throughput (HT) assays, SIBYLS is increasing SAXS throughput and decreasing sample size 10-fold. HT-SAXS translates into greater access for more investigators and projects. However, to maximize this transformation at SIBYLS for NIH users, we must develop a supporting infrastructure that establishes an equally efficient pipeline from the time investigators send their samples to the time they receive processed data. We will make use of shared resources and an economy of scale through ALS-ENABLE to support programming of advanced web tools delivering a pipeline that relies heavily on a robust computational infrastructure to organize, process, and store data. These tools and TOC2 activities will be designed to facilitate productive investigator and beamline staff interactions. The advanced technologies we employ will generate abundant data necessitating that all data processing steps must be adapted so that the tremendous developments made by our peers can be effectively applied. In concert, TOC2 will apply automated data analyses so users without SAXS experience can efficiently extract useful information. The significant increase in throughput of HT-SAXS allows time to support users for size-exclusion- chromatography and time-resolved SAXS (SEC-SAXS and TR-SAXS). These existing capabilities are greatly enhanced by our new detector technology. Building on our HT-SAXS framework, TOC2 will vastly increase access to these technologies to meet growing demand. For analysis of HT-SAXS, SEC-SAXS and TR-SAXS data TOC2 will provide our computational tools and those developed by others as web-accessible applications. Through strategic partnership with all components of ALS- ENABLE, and following through on TOC2 Aims, we will make SAXS a natural part of the workflow in any project using synchrotron technologies. We increase the value of SAXS experiments and increase accessibility – providing quality in quantity.