DEVELOPING STRATEGIES, PREPARING/GETTING THE MOST FROM MACROMOLECULAR CRYSTALLOG

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 这次研讨会的目的是向蛋白质结晶学领域的新手介绍这项技术的基础知识，并让他们了解同步加速器数据收集和数据分析领域的最新技术发展，这些技术使大分子结构测定对初学者来说不那么繁琐，更直接。研讨会讲师包括来自ALS、QED生命科学发现公司和SSRL的科学家。研讨会以Clyde Smith(SSRL)的简要介绍和概述开始，涵盖了几个主题，包括晶体、X射线束和X射线探测器技术。随后由Ana Gonzalez(SSRL)作了关于数据收集策略的讲座。伯恩哈德·鲁普(QED)的下一次演讲概述了衍射数据是如何处理的，以及可能会犯的陷阱和错误。参与者随后学习了如何充分利用PHENIX软件包，以保罗·亚当斯(ALS)提出的无错误的方式轻松地解决结构问题。然后，Tzanko Doukov(SSRL)以最近在SSRL束流线BL12-2上解决的结构为例，描述了微束数据采集和硫磺SAD定相的最新进展。最后，伯恩哈德·鲁普的结构分析讲座指出了人们在解释他们的结构时可能犯的一些错误，以及如何将这种错误最小化的方法。随后进行了两个软件演示，第一个是Ana Gonzalez关于使用Web-Ice进行晶体筛选、初始晶体表征和最佳数据收集策略计算的演示，然后是Paul Adams详细演示了PHENIX软件包的功能以及图形用户界面在轻松设置结构解决方案和精细化计算方面的使用。

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.