A Bayesian approach to single-particle electron cryo-tomography in RELION-4.0.
A Bayesian approach to single-particle electron cryo-tomography in RELION-4.0.
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DOI：
10.7554/elife.83724
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发表时间：
2022-12-05
期刊：
影响因子：
7.7
通讯作者：
Scheres SHW
中科院分区：
文献类型：
--
作者：
Zivanov J;Otón J;Ke Z;von Kügelgen A;Pyle E;Qu K;Morado D;Castaño-Díez D;Zanetti G;Bharat TAM;Briggs JAG;Scheres SHW
提出了一种新的方法，用于从电子冷冻断层扫描（cryo-ET）数据集中的多个粒子确定大分子结构。而现有的subtomogram平均方法是基于3D数据模型，我们建议优化一个正则化的似然目标，近似的2D实验图像的功能。此外，类似于贝叶斯抛光和对比度传递函数（CTF）的细化在单粒子分析，我们描述的方法，利用增加的平均结构中的信噪比，以优化倾斜系列对齐，光束诱导的运动的粒子在整个倾斜系列采集，散焦的单个粒子，以及高阶光学像差的显微镜。在开源软件包RELION中实现我们的方法旨在促进其一般使用，特别是对于那些已经熟悉其单粒子分析工具的研究人员。我们说明了三个应用程序，我们的方法允许从低温ET数据的分辨率足以从头原子建模的结构确定。
We present a new approach for macromolecular structure determination from multiple particles in electron cryo-tomography (cryo-ET) data sets. Whereas existing subtomogram averaging approaches are based on 3D data models, we propose to optimise a regularised likelihood target that approximates a function of the 2D experimental images. In addition, analogous to Bayesian polishing and contrast transfer function (CTF) refinement in single-particle analysis, we describe the approaches that exploit the increased signal-to-noise ratio in the averaged structure to optimise tilt-series alignments, beam-induced motions of the particles throughout the tilt-series acquisition, defoci of the individual particles, as well as higher-order optical aberrations of the microscope. Implementation of our approaches in the open-source software package RELION aims to facilitate their general use, particularly for those researchers who are already familiar with its single-particle analysis tools. We illustrate for three applications that our approaches allow structure determination from cryo-ET data to resolutions sufficient for de novo atomic modelling.
影响因子：
3
作者：
Frank GA;Bartesaghi A;Kuybeda O;Borgnia MJ;White TA;Sapiro G;Subramaniam S
通讯作者：
Subramaniam S