Journal of Applied Crystallography

Volume 46, Part 3 (June 2013)


short communications



J. Appl. Cryst. (2013). 46, 795-797    [ doi:10.1107/S0021889813008030 ]

The current approach to initial crystallization screening of proteins is under-sampled

F. Gorrec

Abstract: Protein crystallization conditions that resulted in crystal structures published by scientists at the MRC Laboratory of Molecular Biology (MRC-LMB, Cambridge, UK) have been analysed. It was observed that the more often a crystallization reagent had been used to formulate the initial conditions, the more often it was found in the reported conditions that yielded diffraction quality crystals. The present analysis shows that, despite the broad variety of reagents, they have the same impact overall on the yield of crystal structures. More interestingly, the correlation implies that, although the initial crystallization screen may be considered very large, it is an under-sampled combinatorial approach.

Keywords: Macromolecular crystallization; screen formulation; crystallization reagents; crystal structure.


xlsdisplay filedownload file

Microsoft Excel (XLS) file (327.0 kbytes)
[ doi:10.1107/S0021889813008030/he5578sup1.xls ]
Table S1: Formulation of our initial screen


odsdisplay filedownload file

Open Spreadsheet Text (ODS) file (56.4 kbytes)
[ doi:10.1107/S0021889813008030/he5578sup4.ods ]
Table S1: Formulation of our initial screen


xlsdisplay filedownload file

Microsoft Excel (XLS) file (52.0 kbytes)
[ doi:10.1107/S0021889813008030/he5578sup2.xls ]
Table S2: Our data set (106 conditions for 94 unique crystal structures)


odsdisplay filedownload file

Open Spreadsheet Text (ODS) file (21.5 kbytes)
[ doi:10.1107/S0021889813008030/he5578sup5.ods ]
Table S2: Our data set (106 conditions for 94 unique crystal structures)


xlsdisplay filedownload file

Microsoft Excel (XLS) file (28.0 kbytes)
[ doi:10.1107/S0021889813008030/he5578sup3.xls ]
Table S3: data for Figure 1


odsdisplay filedownload file

Open Spreadsheet Text (ODS) file (17.6 kbytes)
[ doi:10.1107/S0021889813008030/he5578sup6.ods ]
Table S3: data for Figure 1


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