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. 2017 Jul 24;7:6204. doi: 10.1038/s41598-017-06023-3

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Using NMA and SAXS to derive the open model of BlaC. (A) The SREFLEX derived model and the crystal structure overlaid on each other. The loop showing the most prominent change is highlighted by a black arrow. (B and C) The fit between the theoretical SAXS profiles and distance distribution functions of closed form of BlaC, as seen in the crystal structures, and the open form derived by SREFLEX with the experimental data. (D) An overlay of the SAXS model of BlaC in Apo state with the crystal structure and SREFLEX derived model (Left), followed by two orthogonal views without the water molecules.