Ludtke Steven J, Lawson Catherine L, Kleywegt Gerard J, Berman Helen M, Chiu Wah
Verna & Marrs McLean Dept. of Biochem. & Mol. Biology, Baylor College of Medicine, 1 Baylor Plaza , Houston, TX 77030, USA.
Pac Symp Biocomput. 2011:369-73. doi: 10.1142/9789814335058_0039.
Electron cryo-microscopy (cryoEM) is a rapidly maturing methodology in structural biology, which now enables the determination of 3D structures of molecules, macromolecular complexes and cellular components at resolutions as high as 3.5Å, bridging the gap between light microscopy and X-ray crystallography/NMR. In recent years structures of many complex molecular machines have been visualized using this method. Single particle reconstruction, the most widely used technique in cryoEM, has recently demonstrated the capability of producing structures at resolutions approaching those of X-ray crystallography, with over a dozen structures at better than 5 Å resolution published to date. This method represents a significant new source of experimental data for molecular modeling and simulation studies. CryoEM derived maps and models are archived through EMDataBank.org joint deposition services to the EM Data Bank (EMDB) and Protein Data Bank (PDB), respectively. CryoEM maps are now being routinely produced over the 3 - 30 Å resolution range, and a number of computational groups are developing software for building coordinate models based on this data and developing validation techniques to better assess map and model accuracy. In this workshop we will present the results of the first cryoEM modeling challenge, in which computational groups were asked to apply their tools to a selected set of published cryoEM structures. We will also compare the results of the various applied methods, and discuss the current state of the art and how we can most productively move forward.
电子冷冻显微镜技术(cryoEM)是结构生物学中一种迅速成熟的方法,现在能够以高达3.5埃的分辨率测定分子、大分子复合物和细胞成分的三维结构,填补了光学显微镜与X射线晶体学/核磁共振之间的空白。近年来,许多复杂分子机器的结构已通过这种方法得以可视化。单颗粒重建是cryoEM中使用最广泛的技术,最近已证明能够产生接近X射线晶体学分辨率的结构,迄今为止已发表了十多个分辨率优于5埃的结构。该方法为分子建模和模拟研究提供了重要的新实验数据来源。通过EMDataBank.org联合存档服务,cryoEM得出的图谱和模型分别存档至电子显微镜数据库(EMDB)和蛋白质数据库(PDB)。目前,cryoEM图谱通常在3 - 30埃分辨率范围内生成,许多计算团队正在开发基于此数据构建坐标模型的软件,并开发验证技术以更好地评估图谱和模型的准确性。在本次研讨会上,我们将展示首次cryoEM建模挑战赛的结果,在该挑战赛中,计算团队被要求将其工具应用于一组选定的已发表cryoEM结构。我们还将比较各种应用方法的结果,并讨论当前的技术水平以及如何最有效地向前发展。