Macromolecular Crystallography Operations Core

高分子晶体学操作核心

• 批准号: 10252001
• 负责人: ROBERT F. FISCHETTI
• 金额: $ 192.7万
• 依托单位: ARGONNE NATIONAL LABORATORY
• 依托单位国家: 美国
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-09-30 至 2025-06-30
• 项目状态: 未结题
• 来源: https://reporter.nih.gov/project-details/10252001
• 关键词: Aging; Caliber; Capital; Computer software; Crystallization; Crystallography; Data; Data Analyses; Data Collection; Data Set; Environment; Equipment; Failure; Floor; Funding; Goals; Intuition; Lead; Maintenance; Methods; Modernization; National Institute of General Medical Sciences; Optics; Peer Review; Performance; Periodicity; Positioning Attribute; Process; Protocols documentation; Resources; Roentgen Rays; Sampling; Scanning; Schedule; Scheme; Site; Source; Speed; Structure; System; Testing; Time; Visualization; base; beamline; computerized data processing; data integration; density; detector; experience; experimental study; graphical user interface; improved; instrument; operation; programs; repaired; screening; success; user-friendly

The GM/CA Macromolecular Crystallography (MX) Core has three main goals. We will provide a modern, powerful environment for sample screening, fine sample examination via rastering, and data collection in fixed-energy, SAD and MAD modes for single- or multi-crystal samples. GM/CA will create an intuitive, sophisticated, biologist-friendly user interface for beamline control and data processing and analysis for both on-site and remote users. We will implement beamline and software upgrades for optimal user operations in order to take advantage of the upgraded APS source (APS-U), which will be realized within this funding period. GM/CA Group Leader Dr. Robert Fischetti leads the MX Core, Dr. Craig Ogata (Operations Section Lead) leads the user program, and Dr. Sergey Stepanov (Controls Section Lead) leads the computing and networking effort. Beamlines 23ID-B and 23ID-D will be similarly configured with high-quality X-ray beams, instruments and software for diffraction experiments at user-selectable wavelengths with a beam of user-selectable size to enable macromolecular crystallography of challenging biomedical problems. GM/CA will provide powerful, user-friendly control software and a safe environment on the experimental floor for user experiments based on peer-reviewed applications for beam time. We will complete a project to upgrade aging beamline optics and to increase the flux of the 5-m, 10-m and 20-m beams by focusing. With the upgraded optics, we will provide a beam down to 1-m diameter for the APS-U source and will implement an improved endstation for accurate sample visualization and positioning, a scheme for rapid beam size changes between 1 m and 20 m, an upgraded user interface for rapid sample scanning and data collection, and integration of data analysis software to process multi-crystal datasets. We will test a variety of serial crystallography methods in order to provide this capability to users at the start of APS-U. We will continue a multi-tiered maintenance program to anticipate problems ahead of failures and provide full beamline capabilities to users for all scheduled beam time.

GM/CA大分子晶体学(MX)核心有三个主要目标。我们将提供一个现代化的， 强大的样本筛选环境，通过栅格进行精细样本检查，并在 单晶或多晶样品的固定能量模式、SAD模式和MAD模式。GM/CA将创建一个直观、 复杂的、生物学家友好的用户界面，用于光束线控制以及数据处理和分析 无论是现场用户还是远程用户。我们将实施光束线和软件升级，以实现最佳用户 业务，以利用升级后的APS源(APS-U)，这将在#年实现 这个资金期。通用汽车/CA集团负责人Robert Fischetti博士领导MX Core，Craig Ogata博士 (运行科主管)领导用户程序，谢尔盖·斯捷潘诺夫博士(控制科主管) 领导计算和网络工作。光束线23ID-B和23ID-D将类似地配置为 用户可选择用于衍射实验的高质量X射线束、仪器和软件 具有用户可选尺寸的光束的波长，以实现大分子结晶学 挑战生物医学问题。GM/CA将提供强大的、用户友好的控制软件和一个安全的 基于同行评审的应用程序的用户实验环境 光束时间到了。我们将完成一个项目，以升级老化的光束线光学元件，并增加 5-m、10-m和20-m光束聚焦。有了升级的光学系统，我们将提供一束下至 1-m直径用于APS-U源，并将实施改进的终端站以获得准确的样本 可视化和定位，一种在1m到20m之间快速改变光束尺寸的方案，以及 升级的用户界面，用于快速样本扫描和数据收集，并集成数据分析 处理多晶体数据集的软件。我们将依次测试各种系列结晶学方法。 在APS-U开始时向用户提供此功能。我们将继续进行多层次的维护 计划在故障之前预测问题，并为所有用户提供完整的波束线功能 预定的射束时间。