Data underlying the publication: Roodmus: a toolkit for benchmarking heterogeneous electron cryo-microscopy reconstructions - Roodmus_6xm5_steered

<strong>Introduction</strong>data underlying the publication Roodmus: a toolkit for benchmarking heterogeneous electron cryo-microscopy reconstructions.Publication DOI: https://doi.org/10.1107/S2052252524009321Authors: M. Joosten, J. Greer, J. Parkhurst, T. Burnley, A.J. Jakobi<br><strong>Description</strong>SARS-CoV-2 spike glycoprotein monomer synthetic cryo-EM micrographs and atomic structure models. 20000 particles in 800 .mrc micrographs and 10000 .pdb models. Atomic models derived from steered molecular dynamics simulation performed in openMM using starting and target structures adapted from models with PDB id 6xm4 and 6xm5 respectively.

<strong>引言</strong>本数据集支撑发表论文《Roodmus：用于异质性电子冷冻电镜（cryo-EM）重构基准测试的工具包》。论文DOI：https://doi.org/10.1107/S2052252524009321，作者为M. Joosten、J. Greer、J. Parkhurst、T. Burnley、A.J. Jakobi<br><strong>数据集描述</strong>本数据集包含新冠病毒（SARS-CoV-2）刺突糖蛋白单体的合成冷冻电镜显微图像与原子结构模型。800张.mrc格式显微图像中共包含20000个粒子，另有10000个.pdb格式原子结构模型。所述原子结构模型源自基于openMM平台开展的定向分子动力学模拟，其初始结构与目标结构分别改编自蛋白质数据库（Protein Data Bank, PDB）编号为6xm4与6xm5的模型。