Laboratory of Molecular Biophysics, Department of Cell and Molecular Biology, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-75124, Sweden.
SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA.
Sci Data. 2017 Jun 27;4:170079. doi: 10.1038/sdata.2017.79.
Single-particle diffraction from X-ray Free Electron Lasers offers the potential for molecular structure determination without the need for crystallization. In an effort to further develop the technique, we present a dataset of coherent soft X-ray diffraction images of Coliphage PR772 virus, collected at the Atomic Molecular Optics (AMO) beamline with pnCCD detectors in the LAMP instrument at the Linac Coherent Light Source. The diameter of PR772 ranges from 65-70 nm, which is considerably smaller than the previously reported ~600 nm diameter Mimivirus. This reflects continued progress in XFEL-based single-particle imaging towards the single molecular imaging regime. The data set contains significantly more single particle hits than collected in previous experiments, enabling the development of improved statistical analysis, reconstruction algorithms, and quantitative metrics to determine resolution and self-consistency.
X 射线自由电子激光的单颗粒衍射技术无需结晶即可实现分子结构的测定。为了进一步发展该技术，我们提供了一个 Coliphage PR772 病毒相干软 X 射线衍射图像数据集，该数据集是在 LAMP 仪器中的 pnCCD 探测器在 Linac Coherent Light Source 的原子分子光学（AMO）光束线上收集的。PR772 的直径范围为 65-70nm，明显小于之前报道的 600nm 直径的 Mimivirus。这反映了基于 XFEL 的单颗粒成像技术朝着单分子成像领域的持续发展。该数据集包含的单颗粒命中数量明显多于以前实验中收集的数量，从而可以开发出改进的统计分析、重建算法和定量指标来确定分辨率和自洽性。
