New version of PDB-IHM validation reports now include assessments of crosslinking mass spectrometry-based structure models

New version of PDB-IHM validation reports now include assessments of crosslinking mass spectrometry-based structure models

We are pleased to announce the release of updated validation reports (version 2) for structures determined using integrative and hybrid methods (IHM) archived in the  of the PDB archive. These reports are available in the archive and on the . IHM Validation software v2 is now integrated into the PDB-IHM  to support validation of new depositions. For detailed information on IHM Validation and v2 updates, please refer to the  and . The software is also available for standalone use via .

We thank the  members and the broader structural biology community for supporting the development of validation methods for integrative structures.

What’s New in Version 2?

The latest update extends IHM validation to structures derived from Chemical Crosslinking Mass Spectrometry (Crosslinking-MS) data, in addition to the previously supported Small Angle Scattering (SAS) data. This milestone is the result of close collaboration among the Crosslinking-MS community, PRIDE repository, and the PDB-IHM team.

To support this advancement, we have developed interoperability mechanisms between PDB-IHM and PRIDE, enabling validation of integrative structures based on Crosslinking-MS data. Additionally, PRIDE Crosslinking now supports submission of complete Crosslinking-MS datasets following the  community data standard.

Furthermore, IHM Validation software v2 uses  version 4.5.2 and the  software for precision analysis.

Next Steps for Depositors

We encourage depositors working with Crosslinking-MS-based integrative structures to:

  • Submit complete datasets to PRIDE Crosslinking following the provided guidelines.
  • Cross-reference PRIDE Crosslinking datasets in PDB-IHM depositions to enable robust validation.