Presentation Model building of overlapping dinucleosome from SAXS and SANS data

Matsumoto, Atsushi  ,  Kono, Hidetoshi  ,  Inoue, Rintaro  ,  Sugiyama, Masaaki  ,  Kato, Daiki  ,  Arimura, Yasuhiro  ,  Kurumizaka, Hitoshi

In this study, we built the atomic models of the overlapping dinucleosome in solution by the computational approach based on the experimental data of the small-angle X-ray scattering (SAXS) and the small-angle neutron scattering (SANS). In this computational approach, first, the initial atomic model is deformed by the simulation techniques to generate a lot of deformed atomic models with different conformations. Then, the SAXS and SANS profiles are computed from each deformed atomic model. Finally, these computed profiles are compared with the experimental ones to find the best-fitting atomic models. For the accurate reproduction of the experimental data, it was important to model correctly the histone tails, which are not observed in the X-ray crystal structure.

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