Establishing a training set through the visual analysis of crystallization trials. Part II: crystal examples

• Published in: Acta crystallographica. Section D, Biological crystallography. Biological crystallography., 2008-11, Vol.64 (11), p.1131-1137
• Main Authors: Snell, Edward H., Lauricella, Angela M., Potter, Stephen A., Luft, Joseph R., Gulde, Stacey M., Collins, Robert J., Franks, Geoff, Malkowski, Michael G., Cumbaa, Christian, Jurisica, Igor, DeTitta, George T.
• Format: Article
• Language: English
• Subjects: Computer Graphics; crystal images; Crystallization; Crystallography, X-Ray - classification; Crystallography, X-Ray - methods; Database Management Systems; Humans; image analysis; Image Processing, Computer-Assisted - classification; Image Processing, Computer-Assisted - methods; Macromolecular Substances - chemistry; Models, Molecular; Polyethylene Glycols - chemistry; Polyethylene Glycols - metabolism; Research Papers; Teaching - methods; Teaching - trends
• ISSN: 1399-0047; 0907-4449; 1399-0047
• DOI: 10.1107/S0907444908028059

In the automated image analysis of crystallization experiments, representative examples of outcomes can be obtained rapidly. However, while the outcomes appear to be diverse, the number of crystalline outcomes can be small. To complement a training set from the visual observation of 147 456 crystallization outcomes, a set of crystal images was produced from 106 and 163 macromolecules under study for the North East Structural Genomics Consortium (NESG) and Structural Genomics of Pathogenic Protozoa (SGPP) groups, respectively. These crystal images have been combined with the initial training set. A description of the crystal‐enriched data set and a preliminary analysis of outcomes from the data are described.