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. 2020 Mar 30;48(8):4448–4462. doi: 10.1093/nar/gkaa201

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© The Author(s) 2020. Published by Oxford University Press on behalf of Nucleic Acids Research.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 6. — SAXS molecular envelopes and superimposition with atomic structures for MsmTOP1-839t/MTS2-25. (A) Two views of overlay of SAXS molecular envelopes for MsmTOP1-839t/MTS2-25 (orange mesh) and MsmTOP1-839t (green mesh). The SAXS envelope of MsmTOP1-839t is slightly longer than that of MsmTOP1-839t/MTS2-25, but both of them are closed, indicating there is no large overall conformational change after MTS2-25 binding, but MsmTOP1-839t becomes more compacted after DNA binding. (B) Three views of overlay atomic structure (cyan cartoon) and SAXS envelope (orange mesh) of MsmTOP1-839t/MTS2-25. Compared to the SAXS envelope, the D5–D7 domains of crystal structure of MsmTOP1-839t/MTS2-25 protrude from the sides of the envelope while the bottom part of the SAXS envelope is unfilled. It suggests that in solution the C-terminal D5–D7 domains of MsmTOP1-839t, in either its apo state or its MTS2-25 binding state, may adopt a different orientation relative to the toroidal N-terminal assembly (D1-D4) as observed in crystal structure.