Measuring multisubunit mechanics of geometrically-programmed colloidal assemblies via cryo-EM multi-body refinement

This data contains images and output data from RELION related to a publication on the mechanics of pairs of DNA-origami particles (https://www.pnas.org/doi/10.1073/pnas.2500716122). In this work, we conduct self-assembly experiments with various unique subunit types that target two different diameters of tubule structures. We provide image data of tubules that are associated with the probability distribution reported in Figure 4 in the main text for a twist-corrected monomer. Images of tubules are in the ZIP archive and show the section of tubules we analyzed to produce the probability distribution in the manuscript. This folder has an associated CSV file that relates an image name to the type of tubule that the image was identified as. Tubule types have "m" and "n" values. We provide the necessary files to recreate the fluctuation analysis that we perform on the pairs of particles. This includes output files from RELION 4’s Multi-body refinement: electron density maps of the refined bodies, a mask for the bodies, and associated data files from the principal component analysis. Accompanying these files are Python scripts for analysis. We provide results from simulations. To model the self-assembly outcomes of tubules, we perform energy minimization to find the configuration of subunits in various tubule geometries. The output of these energy minimization simulations, as well as the Python code to generate and analyze them, is provided.Associated publication citation: Thomas E.Videbæk et al., Measuring multisubunit mechanics of geometrically programmed colloidal assemblies via cryo-EM multi-body refinement, PNAS 122 (37) e2500716122 (2025). DOI:10.1073/pnas.2500716122.本数据集包含与一篇关于DNA折纸（DNA-origami）颗粒对力学特性的研究论文相关的RELION相关图像及输出数据（论文链接：https://www.pnas.org/doi/10.1073/pnas.2500716122）。本研究针对两种不同管径的微管结构，使用多种独特的亚基类型开展自组装实验。 我们提供了与正文中图4报道的经扭转校正的单体概率分布相关的微管图像数据。微管图像存储于ZIP压缩包中，展示了我们用于生成手稿中概率分布的微管分析片段。该文件夹附带一个CSV文件，用于关联图像名称与该图像所识别出的微管类型，微管类型包含"m"与"n"参数值。 我们提供了复现颗粒对波动分析所需的全部文件，其中包括RELION 4多体精修的输出文件：精修结构的电子密度图、对应结构的掩膜文件，以及主成分分析的相关数据文件。伴随这些文件的还有用于分析的Python脚本。 我们提供了模拟实验的结果。为了建模微管的自组装结果，我们通过能量最小化方法，在不同微管几何构型下求解亚基的最优排布。本数据集包含这些能量最小化模拟的输出结果，以及用于生成和分析这些模拟的Python代码。 相关论文引用信息： Thomas E. Videbæk 等人，《通过冷冻电镜（cryo-EM）多体精修测量几何程序化胶体组装体的多亚基力学特性》，PNAS 122 (37) e2500716122 (2025)。DOI:10.1073/pnas.2500716122。