Deposition of macromolecular structures

Peter A. Keller (Lead / Corresponding author), Kim Henrick, Philip McNeil, Stuart Moodie, Geoffrey J. Barton

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

Macromolecular structures are being determined at an increasing rate, and are of interest to a wide diversity of researchers. Depositing a macromolecular structure with the Protein Data Bank makes it readily available to the community. Accuracy, consistency and machine-readability of the data are essential, as are clear indications of quality, and sufficient information to allow non-experimentalists to interpret the data. Good-quality depositions are necessary to allow this to be achieved. The PDB's AutoDep system allows deposition and some preliminary automatic checking to take place at multiple sites, prior to full processing and release of the structure by the PDB. However, depositing a structure currently requires the manual entry of a large amount of information at the time of deposition. The data-harvesting approach will allow much more information to be deposited, without placing an additional burden on the depositor. Deposition-ready files will be generated automatically during the course of a structure-determination experiment. The additional information will allow improved validation procedures to be applied to the structures, and the data to be made more useful to the wider scientific community.
Original languageEnglish
Pages (from-to)1105-1108
Number of pages4
JournalActa Crystallographica Section D: Biological Crystallography
Volume54
Issue number6, no. 1
DOIs
Publication statusPublished - 1 Nov 1998

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