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. 2021 Nov 8;11:21787. doi: 10.1038/s41598-021-00236-3

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© The Author(s) 2021

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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/.

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Comparison of Chl positions in PS I between cryogenic and RT structure. (a) A representation of the central Mg²⁺ (salmon spheres) of all Chls in one monomer of the PS I RT structure (with backbone shown schematically in salmon) overlaid with the Mg²⁺ positions from the cryogenic structure (blue). View is along the membrane plane with the stromal side on top and lumenal side on bottom. The center axis, passing through F_X and P700 is indicated by a long-dashed line. (b) Distance change (RT minus cryo) of the chlorophylls to the center between P700 and F_X either along the membrane (top) or perpendicular to it (bottom). Positive values represent expansion, negative contraction at room temperature. The 1-σ region around the average is highlighted. The Chls involved in charge separation are marked as green triangles, the closest two Chls of the antenna as gray diamonds. The room temperature structure shows an average expansion by about 0.2 Å along the membrane plane. The distance change perpendicular to the membrane is distributed symmetrically around the zero line. Figure generated with Pymol v. 2.4.0a0, https://pymol.org, Python v. 3.7.6, Matplotlib 3.2.1, https://matplotlib.org.