Establishing a training set through the visual analysis of crystallization trials. Part II: crystal examples.
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.
Snell
Edward H
EH
Hauptman-Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, NY 14203, USA. esnell@hwi.buffalo.edu
Lauricella
Angela M
AM
Potter
Stephen A
SA
Luft
Joseph R
JR
Gulde
Stacey M
SM
Collins
Robert J
RJ
Franks
Geoff
G
Malkowski
Michael G
MG
Cumbaa
Christian
C
Jurisica
Igor
I
DeTitta
George T
GT
D003196:Computer Graphics; D003460:Crystallization; D018360:Crystallography, X-Ray / Q000145:classification / Q000379:methods*; D003628:Database Management Systems; D006801:Humans; D007091:Image Processing, Computer-Assisted / Q000145:classification / Q000379:methods*; D046911:Macromolecular Substances / Q000737:chemistry*; D008958:Models, Molecular; D011092:Polyethylene Glycols / Q000737:chemistry / Q000378:metabolism; D013663:Teaching / Q000379:methods* / Q000639:trends
D046911:Macromolecular Substances; D011092:Polyethylene Glycols