Page 198 - Macromolecular Crystallography

HIGH-THROUGHPUT DATA COLLECTION AT SYNCHROTRONS 187

12.12 Conclusion of SGX-CAT. Use of the Advanced Photon Source
of Argonne National Laboratory is supported by
High throughput data collection at third-generation
the U. S. Department of Energy, Office of Science,
synchrotron sources using automated systems pro-
Office of Basic Energy Sciences, under Contract No.
duces enormous amounts of high-quality data. In
DE-AC02–06CH11357.
2006, ∼9900 crystals were examined at SGX-CAT
and ∼4400 diffraction datasets were recorded. The
previous year of operations saw similar produc- References
tivity. Automation has reduced the average time
required to screen a crystal from 13 min to less than Abad-Zapatero, C. (2005). Notes of a protein crystallog-
4 min, including all of the manipulations required rapher: my nights with ACTOR. Acta Crystallogr. D 61,
to position the sample within the X-ray beam. This 1432–1435.
productivity is possible because of the close integra- Abrahams, J. P. and Leslie, A. G. W. (1996). Methods used
tion of the beamline activities with the SGX LIMS, in the structure determination of bovine mitochondrial
F 1 ATPase. Acta Crystallogr. D 52, 30–42.
which permits expert systems to manage most data
Adams, P. A., Grosse-Kunstleve, R. W., Hung, L.-W.,
collection without human intervention. In addition
Ioerger, T. R., McCoy, A. J., Moriarty, N. W., Read, R. J.,
to serving the needs of SGX internal structure-based
Sacchettini, J. C., Sauter, N. K. and Terwilliger, T. C.
drug discovery programs, SGX-CAT provides ‘mail- (2002). PHENIX: building new software for automated
in’ beamline access for several major pharmaceu- crystallographic structure determination. Acta Crystal-
tical and biotechnology companies. The SGX-CAT logr. D 58, 1948–1954.
paradigm also permits full-service support of a Gen- Badger, J. and Hendle, J. (2002). Reliable quality-control
eral User Program (www.sgxcat.com) that serves the methods for protein crystal structures. Acta Crystallogr.
needs of not-for-profit users, including one of the D 58, 284–291.
large scale production centres for the NIH-funded Bakaikoa, V. R. (2006). Control Software at ESRF beamlines.
Protein Structure Initiative (www.nysgxrc.org). APS 2006 Users Meeting, Workshop 11, Beamline Con-
trolsattheAPS.www.aps.anl.gov/aod/bcda/meetings/
SGX-CAT represents a state-of-the-art example of
2006-05-04-workshop/rey-2006-05-04-wkshp11.pdf.
the concepts in high-throughput data collection pre-
Berntson, A., Stojanoff, V. and Takai, H. (2003). Appli-
sented in this chapter. Because of the high level of
cation of a neural network in high-throughput protein
automation, the beamline functions exclusively as a crystallography. J. Synchrotron Rad. 10, 445–449.
‘mail-in’ protein crystallographic facility, its activi- Brönnimann, Ch., Bühler, Ch., Eikenberry, E. R.,
ties supported by a dedicated professional staff of Horisberger, R., Hülsen, G., Schmitt, B., Schulze-
minimal size. The overarching goal of SGX-CAT Briese, C., Suzuki, M., Tomizaki, T., Toyokawa, H.
operations is maintenance of the highest quality and Wagner, A. (2004). Protein crystallography with
data while maximizing sample throughput. Criti- the PILATUS 1M detector at the Swiss light source.
cal enhancements to our data collection processes, Synchrotron Radiation News 17, 23–30.
in particular exploitation of the powerful SGX LIMS Broennimann, Ch., Eikenberry, E. F., Henrich, B.,
Horisberger, R., Huelsen, G., Pohl, E., Schmitt,
system and automatic crystal scoring and process-
B., Schulze-Briese, C., Suzuki, M., Tomizaki, T.,
ing, have contributed greatly to the achievement of
Toyokawa, H., and Wagner, A. (2006). The PILATUS 1M
this goal.
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Brünger, A.T. (1992). X-PLOR Version 3.1: A System for
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Acknowledgement New Haven.
Brunzelle, J. S., Shafaee, P., Yang, X., Weigand, S., Ren, Z.
Design and construction of SGX-CAT and imple-
and Anderson, W. F. (2003). Automated crystallographic
mentation of high-throughput operations would not
system for high-throughput protein structure determi-
have been possible without the cooperation of the nation. Acta Crystallogr. D 59, 1138–1144.
entire SGX organization. We thank all of our col- Cohen, A. E., Ellis, P. J., Miller, M. D., Deacon, A. M. and
leagues, present and past, for their manifold contri- Phizackerley, R.P.(2002).Anautomatedsystemtomount
butions to the design, commissioning, and operation cryo-cooled protein crystals on a synchrotron beamline,