• Issue

    Acta Crystallographica Section D: Volume 81, Issue 6

    276-326
    June 2025

editorial

Image-processing methods for electron microscopy of biological specimens

  • Pages: 276-277
  • First Published: 02 June 2025
Image-processing methods for electron microscopy of biological specimens

The focused issue on Image-processing methods for electron microscopy of biological specimens is introduced. The virtual issue is available at https://journals.iucr.org/special_issues/2025/imageprocessing.

research papers

Open Access

Enhanced intensity-based clustering of isomorphous multi-crystal data sets in the presence of subtle variations

  • Pages: 278-290
  • First Published: 02 June 2025
Enhanced intensity-based clustering of isomorphous multi-crystal data sets in the presence of subtle variations

Bovine, porcine and human insulin data sets are isomorphous in terms of unit cell and symmetry. Through enhancements to the multi-crystal clustering methods in DIALS, species-pure data sets are automatically separated by new uncertainty-weighted calculations of pairwise correlation coefficients, algorithm improvements and integration of the OPTICS spatial density clustering method.

Mechanistic insight into O=O bond formation upon model-independent visualization of the coordination geometry and ligand composition of Mn4Ca cofactor in dark-adapted photosystem II structures

  • Pages: 291-309
  • First Published: 02 June 2025
Mechanistic insight into O=O bond formation upon model-independent visualization of the coordination geometry and ligand composition of Mn4Ca cofactor in dark-adapted photosystem II structures

Model-independent visualization of oxygen-evolving center-omit electron-density maps of dark-adapted photosystem II reveals the inner workings of this four-step/four-chamber combustion engine running in a reverse direction.

Open Access

Myricetin-bound crystal structure of the SARS-CoV-2 helicase NSP13 facilitates the discovery of novel natural inhibitors

  • Pages: 310-326
  • First Published: 02 June 2025
Myricetin-bound crystal structure of the SARS-CoV-2 helicase NSP13 facilitates the discovery of novel natural inhibitors

The myricetin-bound crystal structure of the SARS-CoV-2 helicase reveals a conserved allosteric binding site. Guided by these structural insights, caffeic acid derivatives identified through virtual screening were experimentally validated as novel natural inhibitors of NSP13.