Macromolecular Xtallography – Raw Data Repository MX-RDR 

Full Name of the Institution: Interdisciplinary Centre for Mathematical and Computational Modelling UW

The repository was designed to archive and provide access to raw diffraction data collected for macromolecular crystals. It includes tools for creating datasets of crystallographic metadata by combining information extracted directly from diffraction images and obtained from a PDB deposit and/or user input. Each data set is characterized by rich metadata, both to facilitate its management and long-term curation and to allow effective scientific reuse. The resource can be searched using various criteria, and all data are available for unrestricted access and download.

Typical X-Ray Crystallography data flow consists of getting diffraction patterns from protein crystals, then building electron density maps, which determine atomic models. Those atomic models are stored inside the Protein Data Bank. The MX-RDR repository comes way earlier, on the first step of this data flow – getting diffraction patterns.

Each dataset published in the repository is assigned a DOI identifier. Datasets can be versioned and linked to other research outputs, such as publications. Datasets are subject to verification.

The repository is run by the Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, in cooperation with the Adam Mickiewicz University Poznań. 

The service is available at