X-ray Diffraction System

项目总结/摘要 犹他州大学生物化学系和化学系提议收购一个新的理学 XtalLab Synergy-DW单晶X射线衍射仪（scXRD）配备高亮度双波长 (Cu和Mo K α）微焦点旋转阳极X射线源;具有超宽 动态范围;针对双波长优化的X射线束光学器件，具有完全可调的发散狭缝控制; 4-圆形Kappa测角仪;现代化的电子控制柜，带样品照明，高分辨率 水晶视频成像和符合人体工程学的水晶安装和恢复。所请求的系统将 更换这两个部门中大量NIH常规使用的老化仪器， 供资的调查员，但整个系统或关键组成部分不再有供应商的支持， 面临着越来越多的维护挑战。此外，共享X射线仪器升级需要 在这两个部门内，为开发一种新的犹他州X射线提供了动力 晶体学核心设施，其中拟议的scXRD系统将作为核心。因此 该提案的总体目标是更新和更换老化的scXRD仪器，同时 确保NIH资助的研究人员能够持续获得内部最先进的X射线资源，以及 通过整合仪器和核心设施资源减少冗余。特别是，拟议的 Cu和Mo双K α波长旋转阳极X射线源将为各种不同的X射线源提供结构/功能分析。 化学和生物学过程，包括用于治疗开发的新化合物，过渡- 金属介导的小分子活化，通过自组装的超分子化学， 核酸、转录调节、细胞分裂和增殖以及病毒复制。这张X光片的配对 具有供应商特定光学组件源和具有小 像素大小将以多种深刻的方式大大增强研究能力。具体而言，对于 在小分子的表征方面，所提出的scXRD特征将提供对小分子的分析， 衍射晶体和确定绝对立体化学构型，目前还没有能力 available.类似地，对于大分子系统的表征，这种高性能的 仪器设备，包括改变光束发散度的能力，将提供高质量数据集的获取 包括那些具有大晶胞的晶体。此外，请求的系统收集 硫-SAD数据将有助于确定新的结构，而无需制备重原子衍生物 或硒代蛋氨酸的掺入，这对于许多特别有价值的靶可能是有问题的。简而言之， 获得所要求的scXRD系统将支持和增强相当长一段时间的研究能力。 一些现有的NIH资助的项目，并将是至关重要的更广泛的犹他州大学的使命， 保留，招聘和支持NIH相关，生物医学相关领域的有才华的科学家。

Project Summary/Abstract The University of Utah Departments of Biochemistry and Chemistry are proposing to acquire a new Rigaku XtalLab Synergy-DW single crystal X-ray diffractometer (scXRD) equipped with a high brilliance, dual wavelength (Cu and Mo Kα) micro-focus rotating anode X-ray source; hybrid photon counting detector with an ultra-wide dynamic range; X-ray beam optics optimized for dual wavelength with fully adjustable divergence slit controls; 4-circle Kappa goniometer; and a modern electronically controlled cabinet with sample lighting, high-resolution crystal video imaging, and ergonomic accessibility to crystal mounting and recovery. The requested system will replace aging instrumentation in both of these departments that are routinely utilized by a large number of NIH- funded investigators, but where the entire system or key components no longer have vendor support and are experiencing increasing maintenance challenges. Further, the shared X-ray instrumentation upgrade needs within these two departments has provided the impetus for developing a new University of Utah X-ray Crystallography Core Facility, where the proposed scXRD system would serve as the centerpiece. Thus, the overall goal of this proposal is to update and replace aging scXRD instrumentation, while simultaneously ensuring continued NIH funded investigator accessibility to in-house state-of-the-art X-ray resources, as well as reducing redundancy by consolidating instrumentation and core facility resources. In particular, the proposed dual Cu and Mo Kα wavelength rotating anode X-ray source will afford structure/function analyses for diverse chemical and biological processes including novel chemical compounds for therapeutic development, transition- metal mediated small molecule activation, supra molecular chemistry via self-assembly, cellular oxidation of nucleic acids, transcriptional regulation, cell division and proliferation, and viral replication. Pairing of this X-ray source with vendor specific optics assembly and extremely sensitive hybrid photon counting detector with small pixel size will greatly enhance research capabilities in multiple profound ways. Specifically, for groups focused on characterization of small molecules, the proposed scXRD features will afford analysis of small weakly diffracting crystals and determination of absolute stereochemical configuration, capabilities not currently available. Analogously, for characterization of macromolecular systems, features of this high-performance instrumentation, including the capacity to vary beam divergence, will afford acquisition of high-quality data sets from small crystals, including those with large unit cells. In addition, the ability of the requested system to collect sulfur-SAD data will facilitate determination of novel structures without the preparation of heavy atom derivatives or the incorporation of selenomethione, which can be problematic for many especially valuable targets. In short, acquisition of the requested scXRD system will support and enhance research capabilities for a considerable number of existing NIH-funded programs, and will be critical to the broader University of Utah mission of retaining, recruiting and supporting talented scientists in NIH relevant, biomedically related fields.