Structural models of overlapping dinucleosome for SAXS-based ensemble modeling

Around transcription start sites, chromatin remodelers form overlapping dinucleosomes (OLDNs). OLDNs contain two structural units, octasome and hexasome. In the octasome, the same histone octamer as a canonical nucleosome is wrapped by DNA. In the hexasome, a histone hexamer that lacks an H2A-H2B dimer is wrapped by DNA. Changes in positional relationship between structural units of a biomolecular complex resulting from molecular motion or fluctuation often have functional significance. To understand fluctuation of OLDNs, we conducted SAXS-based ensemble modeling. Here structural models of OLDNs for the ensemble modeling are uploaded. The structures were obtained by performing coarse-grained molecular dynamics simulations followed by reverse-mapping of the coarse-grained models to atomistic models.