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Figure 3
Distances of the heme water ligand [A and B molecules are shown in (a) and (b), respectively] and of the two O atoms in the distal heme ligand of the B molecule (c) as a function of the step size within a scan line (left) and between scan lines (right). ID29 data are shown in black (February 2024); Cristallina-MX data are depicted in gray (June 2023) and blue (September 2023). The SACLA data (red) show the results of the data collected by Ebrahim et al. (2019View full citation) after being reprocessed in this study. Error bars were derived by bootstrapping. The plotted values are listed in Supplementary Table S3. The Fe–Wat bond length derived from the February 2024 ID29 data for the B molecule is longer than that obtained from the Cristallina-MX-derived structures.

IUCrJ
Volume 12| Part 6| November 2025| Pages 692-709
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525008371