Abstract
Error analysis constitutes an important part of experimental physical chemistry, yet many of the concepts taught at the undergraduate level have yet to be systematically applied to the determination of protein structure by NMR. At first glance, the application of such simple concepts to the complex problem of structure determination might appear quixotic. However, with straightforward extensions, these concepts can yield valuable insights into the precision of NMR based structures. Some of these concepts are explored, using illustrative examples from the data of Driscoll et al. (Biochemistry 20, 2188 (1989)) for the 43 residue protein BDS-I.
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References
P. Driscoll, A. M. Gronenborn, L. Beress, and G. M. Clore, Biochemistry 28, 2188 (1989).
D. P. Shoemaker, C. W. Garland, and J. I. Steinfeld, “Experiments in Physical Chemistry,” McGraw-Hill, New York, 1974.
I. D. Kuntz, J. F. Thomason, and C. M. Oshiro, Methods Enzym. 177, 159 (1989).
R. M. Scheek, W. F. van Gunsteren, and R. Kaptein, Methods Enzym. 177, 204 (1989).
R. B. Altman and O. Jardetzky, Methods Enzym. 177, 218 (1989).
B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, and M. Karplus, J. Comp. Chem. 4, 187 (1983).
S. J. Weiner, P. A. Kollman, D. T. Nguyen, and D. A. Case, J. Comp. 1, 230 (1986).
GROMOS (by W. F. Van Gunsteren and H. J. C. Berendsen) is available from BIOMOS b.v., Nijenborgh 16, 9747 AG Gronengen, The Netherlands.
M. J. Sippl, G. Némethy, and H. A. Scheraga, J. Phys. Chem. 88, 6231 (1984).
P. Yip and D. A. Case, J. Magn. Reson. 83, 643 (1989).
J. C. Hoch, C. M. Dobson, and M. Karplus, Biochemistry 21, 1118 (1982).
T. A. Holak, J. H. Prestegard, and J. D. Forman, Biochemistry 26, 4652 (1987).
T. F. Havel, Biopolymers 29, 1565 (1990).
W. J. Metzler, D. R. Hare, and A. Pardi, Biochemistry 28, 7045 (1989).
Biograf Users Manual, Biodesign, Inc., Pasadena, CA (1990).
C. Gonzalez, J. A. C. Rullmann, M. J. J. Bonvin, R. Boelens, and R. Kaptein, J. Magn. Reson. 91, 659 (1991).
P. D. Thomas, V. J. Basus, and T. L. James, Proc. Natl. Acad. Sci. USA 88, 1237 (1991).
R. Boelens, T. M. G. Konig, and R. Kaptein, J. Mol. Struct. 173, 299 (1988).
T. A. Holak, J. N. Scarsdale, and J. H. Prestegard, J. Magn. Reson. 74, 546 (1987).
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Hoch, J.C. (1991). An Amateur Looks at Error Analysis in the Determination of Protein Structure by NMR. In: Hoch, J.C., Poulsen, F.M., Redfield, C. (eds) Computational Aspects of the Study of Biological Macromolecules by Nuclear Magnetic Resonance Spectroscopy. NATO ASI Series, vol 225. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-9794-7_19
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DOI: https://doi.org/10.1007/978-1-4757-9794-7_19
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