DNA Version 1.0.0

Automated data collection and processing at synchrotron MX beamlines
December 1st 2004

Overview:

Release 1.0.0 of the DNA package is the result of a collaboration started over 3 years ago initially involving 3 sites with a common aim of providing facilities for automation of x-ray data collection on macromolecular crystallography beamlines at a synchrotron. The collaboration has since expanded to include developers from many more institutions and projects.

Key features in DNA 1.0.0 include:

- A common site independent interface
- Automatic characterisation of a crystal by
+ Automatic collection of reference images.
+ Analysis of reference images prior to indexing.
+ Automatic indexing and estimation of mosaicity.
+ Integration of reference images to determine resolution limit.
- Determine quality of crystal by examination of the auto indexing and
integration results
- Automatically collate and summarise the indexing, integration and strategy
results
- Determine optimum exposure time using BEST.
- Generate web pages to display the indexing (diffraction images with overlaid predicted pattern) and integration results.
- Automatic calculation of data collection strategy.
- Automatic collection and integration of data.

The success embodied in DNA 1.0.0 is not only due to the improvements in scientific packages such as MOSFLM and BEST but also an array of technical breakthroughs to allow effective communication between processing software, beamline control software and an expert system.

Availability:

DNA 1.0.0 is currently available for immediate use (correct on the 1st of December 2004) at the following institutions and beamlines:
ESRF – ID14-1, ID14-2, ID14-3, ID14-4, ID23-1 and ID29
SRS Daresbury - 14.2 and 7.2 (development purposes only)

Contributors:

Karen Ackroyd*, Alun Ashton, Gleb Bourenkov*, Gérard Bricogne, Sandor Brockhauser, Liz Duke, Eric Girard, Steve Kinder*, Ludovic Launer, Pierre Legrand, Andrew Leslie, Katherine McAuley, Sean McSweeney, Lorenzo Milazzo, Colin Nave, Venkataraman Parthasarathy, Alexander Popov*, Harry Powell*, Raimond Ravelli, Lucile Roussier, Darren Spruce*, Olof Svensson*, Andrew Thompson, Takashi Tomizaki, Graeme Winter*.

*These contributors have made the majority of the developments incorporated in DNA 1.0.0

http://www.dna.ac.uk