X-RAY FLUORESCENCE BASED CRYSTAL CENTERING

基于 X 射线荧光的晶体定心

• 批准号: 8169996
• 负责人: ANA M GONZALEZ
• 金额: $ 2.71万
• 依托单位: STANFORD UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-05-01 至 2011-02-28
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8169996
• 关键词: Algorithms; Computer Retrieval of Information on Scientific Projects Database; Computer software; Development; Fluorescence; Funding; Grant; Institution; Measures; Metals; Positioning Attribute; Proteins; Research; Research Personnel; Resources; Sample Size; Sampling; Signal Transduction; Source; Translating; United States National Institutes of Health; base; programs

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. Automated scripts were developed for 1) automated routine A software script was developed to center crystals in the x-ray beam by using the fluorescence signal from metals contained in the crystal. The script pre-centers the loop using the loop centering algorithm implemented in DCSS, then translates the loop in steps along the vertical and the horizontal directions and measures the fluorescence from the relevant metal at each point. The maximum fluorescence signal is determined using the analyzePeak program, and the crystal moved to this point. This position should also optimize the diffracted intensity for samples the size of a typical protein crystal, assuming that the metal concentration is even throughout the sample. Further developments and studies to refine this approach is planned.

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 开发了自动化脚本用于1）自动化例程开发了软件脚本，以通过使用来自晶体中所含金属的荧光信号来使晶体在X射线束中居中。脚本使用DCSS中实现的循环居中算法对循环进行预居中，然后沿垂直和水平方向沿着逐步平移循环，并测量每个点处相关金属的荧光。使用analyzePeak程序测定最大荧光信号，并将晶体移动到此点。假设金属浓度在整个样品中均匀，该位置还应优化典型蛋白质晶体大小的样品的衍射强度。 计划进一步发展和研究以完善这一方法。