X-RAY FLUORESCENCE BASED CRYSTAL CENTERING

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 开发了用于1)自动化程序的自动化脚本通过使用来自晶体中所含金属的荧光信号来开发软件脚本以使晶体在X射线束中居中。该脚本使用在DCS中实现的循环居中算法预先将循环居中，然后沿垂直和水平方向逐步平移循环，并在每个点测量来自相关金属的荧光。使用analyzePeak程序确定最大荧光信号，并将晶体移动到这一点。假设金属浓度在整个样品中均匀分布，该位置还可以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。

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.