Towards the charge-density study of proteins: A room-temperature scorpion-toxin structure at 0.96 Å resolution as a first test case

Acta Crystallographica Section D: Biological Crystallography

Volumn 56, Issue 2, 2000, Pages 151-160

  Housset, Dominique ^b   Benabicha, Farid ^a,c   Pichon Pesme, Virginie ^a   Jelsch, Christian ^a   Maierhofer, Andreas ^b   David, Sylvain ^b   Fontecilla Camps, Juan Carlos ^b   Lecomte, Claude ^a  

^a UNIVERSITÉ DE LORRAINE   (France)

^b CEA GRENOBLE   (France)

^c MOULAY ISMAIL UNIVERSITY   (Morocco)

Author keywords

[No Author keywords available]

Indexed keywords

NEUROTOXIN; REPTILIAN PROTEIN; SCORPION TOXIN II, ANDROCTONUS; SCORPION VENOM;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; PROTEIN CONFORMATION; TEMPERATURE; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; NEUROTOXINS; PROTEIN CONFORMATION; REPTILIAN PROTEINS; SCORPION VENOMS; SOFTWARE; TEMPERATURE; THERMODYNAMICS;

ANDROCTONUS; ANDROCTONUS AUSTRALIS HECTOR; SCORPIONES;

EID: 0034141379     PISSN: 09074449     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0907444999014948     Document Type: Article

References (53)

1. Allen, F. H. (1986). Acta Cryst. B42, 515-522.
2. Bader, R. F. W. & Essen, H. (1984). J. Chem. Phys. 80, 1943-1960.
3. Bayly, C. I., Cieplack, P., Cornell, W. D. & Kollman, P. A. (1993). J. Phys. Chem. 97, 10269-10280.
4. Bouhmaida, N., Ghermani, N.-E., Lecomte, C. & Thalal, A. (1999). Acta Cryst. A55, 729-738.
5. Brünger, A. T. (1992). Nature (London), 355, 472-474.
6. Clementi, E. & Raimondi, D. L. (1963). J. Chem. Phys. 41, 2686-2689.
7. Collaborative Computational Project, Number 4 (1994). Acta Cryst. D50, 760-763.
8. Coppens, P. (1967). Science, 158, 1577.
9. Coppens, P. (1997). X-ray Charge Densities and Chemical Bonding. Oxford: IUCr/Oxford University Press.
10. Coppens, P. (1998). Acta Cryst. A54, 779-788.
11. Coppens, P., Guru Row, T. N., Leung P., Stevens, E. D., Becker, P. J. & Yang, Y. W. (1979). Acta Cryst. A35, 63-72.
12. Cromer, D. T. (1974). International Tables for X-ray Crystallography, edited by J. A. Ibers & W. E. Hamilton, Vol. IV, pp. 148-151. Birmingham: Kynoch Press.
13. Dahaoui, S., Jelsch, C., Howard, J. & Lecomte, C. (1998). Acta Cryst. B55, 226-230.
14. Dauter, Z., Lamzin, V. S. & Wilson, K. S. (1995). Curr. Opin. Struct. Biol. 5, 784-790.
15. Dauter, Z., Lamzin, V. S. & Wilson, K. S. (1997). Curr. Opin. Struct. Biol. 7, 681-688.
16. Dauter, Z., Wilson, K. S., Sieker, L.C., Meyer, J. & Moulis, J. M. (1997). Biochemistry, 36, 16065-16073.
17. Deacon, A. M., Weeks, C. M., Miller, R. & Ealick, S. E. (1998). Proc. Natl Acad. Sci. USA, 95, 9284-9289.
18. Dunitz, J. D. & Seiler, P. (1983). J. Am. Chem. Soc. 105, 7056-7058.
19. Fernandez-Serra, M. V., Junquera, J., Artacho, E., Jelsch, C. & Lecomte, C. (1999). Proceedings of the Second European Charge Density Meeting, Sitges, Spain.
20. Fontecilla-Camps, J.-C., Habersetzer-Rochat, C. & Rochat, H. (1988). Proc. Natl Acad. Sci. USA, 85, 7443-7447.
21. Genick, U. K., Soltis, M., Kuhn, P., Canestrelli, I. L. & Getzoff, E. D. (1998). Nature (London), 392, 206-209.
22. Hansen, N. K. & Coppens, P. (1978). Acta Cryst. A34, 909-921.
23. Hirshfeld, F. L. (1976). Acta Cryst. A32, 239-244.
24. Housset, D., Habersetzer-Rochat, C., Astier, J. P. & Fontecilla-Camps, J. C. (1994). J. Mol. Biol. 238, 88-103.
25. Jelsch, C., Pichon-Pesme, V., Lecomte, C. & Aubry, A. (1998). Acta Cryst. D54, 1306-1318.
26. Jelsch, C., Teeter, M. M., Pichon-Pesme, V., Blessing, R. H. & Lecomte, C. (1999). Abstract No. M11.BB.004. XVIIIth IUCR Congress.
27. Jones, T. A., Cowan, S., Zou, J. Y. & Kjeldgaard, M. (1991). Acta Cryst. A47, 110-119.
28. Kuhn, P., Knapp, M., Soltis, S. M., Ganshaw, G., Thoene, M. & Bott, R. (1998). Biochemistry, 37, 13446-13452.
29. Lamzin, V. S. & Wilson, K. S. (1993). Acta Cryst. D49, 129-147.
30. Langs, D. A. (1988). Science, 241, 188-191.
31. Lecomte, C. (1995). Advances in Molecular Structure Research, edited by I. Hargittai & M. Hargittai, Vol. 1, pp. 261-302. Greenwich, CT, USA: JAI Press Inc.
32. Leslie, A. G. W. (1992). CCP4 ESF-EACMB Newslett. Protein Crystallogr. 26.
33. Longhi, S., Czjzek, M. & Cambillau, C. (1998). Curr. Opin. Struct. Biol. 8, 730-737.
34. Miranda, F., Kupeyan, C., Rochat, H. & Lissitzky, S. (1970). Eur. J. Biochem. 17, 477-484.
35. Mulliken, R. S. (1955). J. Chem. Phys. 23, 1833-1846.
36. Pichon-Pesme, V. & Lecomte, C. (1998). Acta Cryst. B54, 485-493.
37. Pichon-Pesme, V., Lecomte, C. & Lachekar, H. (1995). J. Phys. Chem. 99, 6242-6250.
38. Pichon-Pesme, V., Lecomte, C., Wiest, R. & Bénard, M. (1992). J. Am. Chem. Soc. 114, 2713-2715.
39. Read, R. J. (1986). Acta Cryst. A42, 140-149.
40. Sakabe, N., Sasaki, K. & Sakabe, K. (1981). Acta Cryst. A37, C50-C53.
41. Sheldrick, G. M. & Schneider, T. (1997). Methods Enzymol. 277, 319-343.
42. Shomaker, V. & Trueblood, K. N. (1968). Acta Cryst. B24, 63-76.
43. Smith, G. D., Blessing, R. H., Ealick, S. E., Fontecilla-Camps, J. C., Hauptman, H. A., Housset, D., Langs, D. A. & Miller, R. (1997). Acta Cryst. D53, 551-557.
44. Souhassou, M., Lecomte, C., Ghermani, N.-E., Rohmer, M.-M., Wiest, R., Bénard, M. & Blessing, R. H. (1992). J. Am. Chem. Soc. 114, 2371-2382.
45. Stec, S., Zhou, R. & Teeter, M. M. (1995). Acta Cryst. D51, 663-681.
46. Stewart, R. F., Davidson, E. R. & Simpson, W. T. (1965). J. Chem. Phys. 43, 175-187.
47. Teeter, M. M. & Hendrickson, W. A. (1979). J. Mol. Biol. 127, 219-223.
48. Trueblood, K. N. (1990). THMA11. University of California at Los Angeles, USA.
49. Trueblood, K. N. & Dunitz, J. D. (1983). Acta Cryst. B39, 120-133.
50. Van Alsenoy, C., Yu, C. H., Peeters, A., Martin, J. M. L. & Schäfer, L. (1998). J. Phys. Chem. 102, 2246-2251.
51. Walsh, M. A., Schneider, T. R., Sieker, L. C., Dauter, Z., Lamzin, V. S. & Wilson, K. S. (1998). Acta Cryst. D54, 522-546.
52. Watenpaugh, K. D., Sieker, L. C. & Jensen, L. H. (1979). J. Mol. Biol. 131, 509-522.
53. Wlodawer, A., Walter, R., Huber, R. & Sjolin, L. (1984). J. Mol. Biol. 180, 301-329.