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Protein Engineering vol. 3 no. 8 pp. 649-657, 1990
© 1990 Oxford University Press

RESEARCH-ARTICLE

Incorporation of crystallographic temperature factors in the statistical analysis of protein tertiary structures

Richard Bott and James Frane1

Genencor Inc. 180 Kimball Way, South San Francisco, CA 94080, USA 1Genencor Inc. 460 Pt San Bruno Blvd, South San Francisco, CA 94080, USA

A method to identify statistically significant differences between equivalent atoms in two closely related protein X-ray crystallographic structures is described. This method uses the linear relationship found between the logarithm of the distance between equivalent atoms and their mean temperature factor to determine, by linear regression, the expected difference and variance.

Keywords: X-ray crystallography/site-specific variant structure

Received January 29, 1990; accepted June 10, 1990.


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