Robust indexing for automatic data collection

Journal Article · Tue Dec 09 00:00:00 EST 2003 · Journal of Applied Crystallography

OSTI ID:836376

Sauter, Nicholas K; Grosse-Kunstleve, Ralf W; Adams, Paul D

We present improved methods for indexing diffraction patterns from macromolecular crystals. The novel procedures include a more robust way to verify the position of the incident X-ray beam on the detector, an algorithm to verify that the deduced lattice basis is consistent with the observations, and an alternative approach to identify the metric symmetry of the lattice. These methods help to correct failures commonly experienced during indexing, and increase the overall success rate of the process. Rapid indexing, without the need for visual inspection, will play an important role as beamlines at synchrotron sources prepare for high-throughput automation.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Director, Office of Science; National Institutes of Health (US)
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 836376
• Report Number(s): LBNL-54279; R&D Project: 864D6B; TRN: US0500568
• Journal Information: Journal of Applied Crystallography, Vol. 37, Issue Pt3; Other Information: Submitted to Journal of Applied Crystallography: Volume 37, Pt3; Journal Publication Date: 06/2004; PBD: 9 Dec 2003
• Country of Publication: United States
• Language: English

Related Subjects

43 PARTICLE ACCELERATORS
59 BASIC BIOLOGICAL SCIENCES
60 APPLIED LIFE SCIENCES
99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
ALGORITHMS
AUTOMATION
DIFFRACTION
METRICS
SYMMETRY
SYNCHROTRONS
X-RAY DIFFRACTION MACROMOLECULAR GENOMICS SYNCHROTRON