Single-particle cryo-EMImproved ab initio 3D reconstruction with SIMPLE/PRIME
Single-particle cryo-EMImproved ab initio 3D reconstruction with SIMPLE/PRIME
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DOI：
10.1002/pro.3266
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发表时间：
2018-01-01
期刊：
影响因子：
8
通讯作者：
Elmlund, Hans
中科院分区：
文献类型：
--
作者：
Reboul, Cyril F.;Eager, Michael;Elmlund, Hans
低温电子显微镜（cryo-EM）和单粒子分析现在能够确定高分辨率的结构的大分子组件，抵制X射线晶体学和其他方法。我们开发了SIMPLE开源图像处理套件，用于分析单粒子的冷冻EM图像。SIMPLE的一个核心组件是概率PRIME算法，用于识别2D图像簇并确定3D单粒子投影的相对方向。在这里，我们扩展了我们以前的工作PRIME和引入新的随机优化算法，提高了鲁棒性的方法。我们改进的方法，用于识别均匀的图像子集在准确的登记册，大大提高了分辨率的聚类中心和从头算3D重建来自他们。我们现在通过专门处理集群中心获得分辨率优于10埃的地图。优秀的并行代码性能的柜台笔记本电脑和CPU工作站上证明。
Cryogenic electron microscopy (cryo-EM) and single-particle analysis now enables the determination of high-resolution structures of macromolecular assemblies that have resisted X-ray crystallography and other approaches. We developed the SIMPLE open-source image-processing suite for analysing cryo-EM images of single-particles. A core component of SIMPLE is the probabilistic PRIME algorithm for identifying clusters of images in 2D and determine relative orientations of single-particle projections in 3D. Here, we extend our previous work on PRIME and introduce new stochastic optimization algorithms that improve the robustness of the approach. Our refined method for identification of homogeneous subsets of images in accurate register substantially improves the resolution of the cluster centers and of the ab initio 3D reconstructions derived from them. We now obtain maps with a resolution better than 10 angstrom by exclusively processing cluster centers. Excellent parallel code performance on over-the-counter laptops and CPU workstations is demonstrated.