DEVELOPING STRATEGIES, PREPARING/GETTING THE MOST FROM MACROMOLECULAR CRYSTALLOG

制定策略，准备/充分利用大分子晶体

• 批准号: 8362103
• 负责人: CLYDE A SMITH
• 金额: $ 1.64万
• 依托单位: STANFORD UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-03-01 至 2012-02-29
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8362103
• 关键词: Area; Biological Sciences; Computer software; Crystallography; Data; Data Analyses; Data Collection; Educational workshop; Funding; Grant; Ice; Internet; Learning; Molecular Structure; National Center for Research Resources; Participant; Phase; Principal Investigator; Process; Proteins; Radiation; Research; Research Infrastructure; Resources; Roentgen Rays; Scientist; Screening procedure; Solutions; Source; Structure; Sulfur; Synchrotrons; Techniques; Technology; United States National Institutes of Health; cost; detector; graphical user interface; lecturer; lectures; programs; structural biology; technology development

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. The aim of this workshop was to introduce novices in the field of protein crystallography to the basics of the technique and to inform them about recent technology developments in the areas of synchrotron data collection and data analysis that make macromolecular structure determination less tedious and more straightforward for beginners. Workshop lecturers included scientists from ALS, QED Life Science Discoveries Inc, and SSRL. The workshop program began with a brief introduction and overview by Clyde Smith (SSRL) covering several topics, including crystals, X-ray beam and X-ray detector technology. This was followed by a lecture on data collection strategy by Ana Gonzalez (SSRL). The next lecture by Bernhard Rupp (QED) gave an outline of how diffraction data is processed and the pitfalls and mistakes which can be made. Participants then learned how to take full advantage of the PHENIX software package to easily solve a structure in an error-free way, presented by Paul Adams (ALS). Recent advances in micro-beam data collection and sulfur SAD phasing were then described by Tzanko Doukov (SSRL) using a recently solved structure at SSRL Beam Line BL12-2 as an example. Finally a lecture of structure analysis by Bernhard Rupp pointed out some of the mistakes people can make in interpreting their structures and the ways in which this can be minimized. Two software demonstrations followed, the first by Ana Gonzalez on the use of Web-Ice to perform crystal screening, initial crystal characterization and calculation of the best data collection strategy, followed by a detailed demonstration by Paul Adams of the power of the PHENIX package and the use of the graphical user interface in easily setting up structure solution and refinement calculations.

这个子项目是许多利用资源的研究子项目之一 由NIH/NCRR资助的中心拨款提供。子项目的主要支持 而子项目的主要调查员可能是由其他来源提供的， 包括其它NIH来源。 列出的子项目总成本可能 代表子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 本次研讨会的目的是向蛋白质晶体学领域的新手介绍该技术的基础知识，并告知他们同步加速器数据收集和数据分析领域的最新技术发展，这些技术发展使大分子结构测定变得不那么繁琐，对初学者来说更简单。 研讨会的讲师包括来自ALS，QED Life Science Discoveries Inc和SSRL的科学家。研讨会开始时，克莱德史密斯（SSRL）简要介绍和概述了几个主题，包括晶体，X射线束和X射线探测器技术。 随后，Ana Gonzalez（SSRL）就数据收集策略发表了演讲。 下一个讲座由伯恩哈德鲁普（QED）给出了一个大纲衍射数据是如何处理和陷阱和错误，可以作出。 然后，学员们学习了如何充分利用PHENIX软件包，以无错误的方式轻松解决一个结构，由Paul亚当斯（ALS）介绍。 Tzanko Doukov（SSRL）随后以SSRL光束线BL 12 -2最近解决的结构为例，描述了微束数据收集和硫SAD定相的最新进展。 最后，Bernhard Rupp的结构分析讲座指出了人们在解释其结构时可能犯的一些错误，以及可以最大限度地减少这些错误的方法。 随后进行了两次软件演示，第一次由Ana Gonzalez演示了使用Web-Ice进行晶体筛选、初始晶体表征和计算最佳数据收集策略，随后由Paul亚当斯详细演示了PHENIX软件包的功能以及使用图形用户界面轻松设置结构解和细化计算。