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On the need for an international effort to capture, share and use crystallisation screening data (failure and success)

Published

Author(s)

David Travis Gallagher, Janet Newman, Evan E. Bolton, Jochen M?Dieckmann, Vincent J. Fazio, David Lovell, Joseph R. Luft, Thomas S. Peat, David Ratcliffe, Roger A. Sayle, Edward H. Snell, Kerry Taylor, Pascal Vallotton, Sameer Velankar, Frank V. Delft

Abstract

Crystallisation of biological macromolecules is seen by most structural biologists as a necessary evil, a means to the end, which is knowledge about a macromolecular structure. Crystallization remains largely a trial-and-error process, with extensive searches over chemical conditions. A large fraction of the information about the crystallization process, especially the failures along the way, is not recorded or is routinely discarded. We argue that retaining and processing this information can significantly enable further progress and make the field more scientific. To this end, we have initiated development of an ontology for biological crystallization, which is intended to facilitate data archiving, exchange and analysis using standardized terminology and semantics.
Citation
ACTA Crystallographica
Volume
F68

Keywords

Crystallisation, Protein, Screening

Citation

Gallagher, D. , Newman, J. , Bolton, E. , M?Dieckmann, J. , Fazio, V. , Lovell, D. , Luft, J. , Peat, T. , Ratcliffe, D. , Sayle, R. , Snell, E. , Taylor, K. , Vallotton, P. , Velankar, S. and Delft, F. (2012), On the need for an international effort to capture, share and use crystallisation screening data (failure and success), ACTA Crystallographica, [online], https://doi.org/10.1107/S1744309112002618 (Accessed April 19, 2024)
Created June 1, 2012, Updated March 14, 2023