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On vital aid: the why, what and how of validation
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Structural Molecular Biology.
2009 (English)In: Acta Crystallographica Section D: Biological Crystallography, ISSN 0907-4449, E-ISSN 1399-0047, Vol. 65, no Pt 2, 134-139 p.Article in journal (Refereed) Published
Abstract [en]

Limitations to the data and subjectivity in the structure-determination process may cause errors in macromolecular crystal structures. Appropriate validation techniques may be used to reveal problems in structures, ideally before they are analysed, published or deposited. Additionally, such techniques may be used a posteriori to assess the (relative) merits of a model by potential users. Weak validation methods and statistics assess how well a model reproduces the information that was used in its construction (i.e. experimental data and prior knowledge). Strong methods and statistics, on the other hand, test how well a model predicts data or information that were not used in the structure-determination process. These may be data that were excluded from the process on purpose, general knowledge about macromolecular structure, information about the biological role and biochemical activity of the molecule under study or its mutants or complexes and predictions that are based on the model and that can be tested experimentally.

Place, publisher, year, edition, pages
2009. Vol. 65, no Pt 2, 134-139 p.
National Category
Biological Sciences
URN: urn:nbn:se:uu:diva-105994DOI: 10.1107/S090744490900081XISI: 000263557900005PubMedID: 19171968OAI: oai:DiVA.org:uu-105994DiVA: diva2:223146
Available from: 2009-06-11 Created: 2009-06-11 Last updated: 2010-09-13Bibliographically approved

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