A file that describes in detail the features of a macromolecular structure and the X‑ray diffraction experiment that was used to derive that structure.
Source:
PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 250 (https://doi.org/10.1515/pac-2012-1204)