IN-SITU UV/VIS SPECTROSCOPY FOR MACROMOLECULAR CRYSTALLOGRAPHY

该子项目是利用 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来源获得主要资金， 因此可以在其他CRISP条目中表示。列出的机构是 中心，不一定是研究者的机构。 该项目的目标是能够同时获取X射线衍射数据和紫外/可见光和红外区域的单晶吸收光谱。 在UV（190 - 400 nm）和可见光（400 - 800 nm）区域的吸收光谱的分析提供了关于蛋白质在结晶状态时的电子状态的信息。 为了探索这种方法，在BL 7 -1上设置了一个单晶显微分光光度计，以记录测角仪上晶体的光谱。 在衍射实验期间，分析光谱测量以确认氧化还原状态。 从含有金属氧化态混合物的晶体中收集数据。 由此产生的数据允许的混合状态的估计。 基于这些和以前的实验，该仪器现在是自动化的，并纳入光束线控制系统。

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. The goal of this project is to enable the simultaneous acquisition of x-ray diffraction data and single crystal absorption spectra in the UV/Visible and infrared regions. Analysis of the absorption spectrum in the UV (190 - 400 nm) and visible (400 - 800 nm) regions provides information about the electronic state of proteins while in the crystalline state. To explore this approach, a single crystal microspectrophotometer was set up on BL7-1 to record spectra from crystals on the goniometer. During diffraction experiments, spectroscopic measurements were analyzed to confirm the redox state. Data were collected from crystals containing mixtures of metal oxidation states. The resulting data allow the estimation of the mixed states. Based on these and previous experiments, the instrument is now being automated and incorporated into the beam line control system.