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.

该副本是利用资源的众多研究子项目之一 由NIH/NCRR资助的中心赠款提供。对该子弹的主要支持 而且，副投影的主要研究员可能是其他来源提供的 包括其他NIH来源。 列出的总费用可能 代表subproject使用的中心基础架构的估计量， NCRR赠款不直接向子弹或副本人员提供的直接资金。 该研讨会的目的是将蛋白质晶体学领域的新手引入技术的基础知识，并向他们告知同步总体数据收集和数据分析领域的最新技术发展，从而使大分子结构确定确定不那么乏味，而对初学者来说更加直接。 研讨会讲师包括来自ALS，QED Life Science Investion Inc和SSRL的科学家。研讨会计划始于克莱德·史密斯（Clyde Smith）（SSRL）的简要介绍和概述，其中包括几个主题，包括水晶，X射线梁和X射线探测器技术。 随后是ANA Gonzalez（SSRL）的数据收集策略的讲座。 伯恩哈德·鲁普（Bernhard Rupp）的下一届演讲（QED）概述了如何处理衍射数据以及可以造成的陷阱和错误。 然后，参与者学会了如何充分利用Phenix软件包，以通过Paul Adams（ALS）提出的无错误的方式轻松解决结构。 然后，Tzanko Doukov（SSRL）使用SSRL Beam Line BL12-2的最近解决的结构来描述微光束数据收集和Sulfur SAD相位的最新进展。 最后，伯恩哈德·鲁普（Bernhard Rupp）的结构分析讲座指出，人们在解释其结构以及可以最小化的方式时可能犯了一些错误。 随后进行了两次软件演示，首先是Ana Gonzalez的使用Web-Ice来执行最佳数据收集策略的晶体筛选，初始晶体表征和计算，然后由Paul Adams详细证明了Phineix软件包的功能以及图形用户界面在易于设置结构解决方案和改进计算中的使用。