Advertisement

Direct Methods for Macromolecular Crystallography

  • Suzanne Fortier
Chapter
Part of the NATO ASI Series book series (NSSB, volume 274)

Abstract

The term “direct methods”, as it is used in a small molecule context, refers to crystal structure determination methods that take advantage of relationships among the structure factors to extract missing phase information from the observed intensities. An initial model of the structure can thus be calculated with little or no a priori chemical information. While in general the chemical content of the unit cell is known, even this information is not essential for the successful application of direct methods. Indeed there are numerous examples of crystal structures solved with unknown or presumably known, but erroneous, chemical formulae.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Anderson, W. F. Flitterick, R. J. and Steitz, T. A. (1974) J. Mol. Biol., 86, 261.CrossRefGoogle Scholar
  2. Artymiuk, P.J., Blake, C.C.F., Rice, D.W. and Wilson, K.S. (1982) Acta Cryst. B38, 778.CrossRefGoogle Scholar
  3. Bijvoet, J.M. (1954) Nature (London), 173, 888.CrossRefGoogle Scholar
  4. Blow, D.M. and Rossman, M.G. (1961) Acta Cryst., 14, 195.CrossRefGoogle Scholar
  5. Bricogne, G. (1976) Acta Cryst., A32, 832.CrossRefGoogle Scholar
  6. Bricogne, G. (1988) Acta Cryst., A44, 517.CrossRefGoogle Scholar
  7. Bricogne, G. (1991). In Direct Methods of Solving Crystal Structures, H. Schenk, Ed., Plenum Press, London.Google Scholar
  8. Carter, W. Jr., Crumley, K.V., Coleman, D.E., Hage, F. and Bricogne, G. (1990) Acta Cryst., A46, 57.CrossRefGoogle Scholar
  9. Cochran, W. (1955) Acta Cryst., 8, 473.CrossRefGoogle Scholar
  10. Coulter, C.L. (1965) J. Mol. Biol., 12, 292.CrossRefGoogle Scholar
  11. Coulter, C.L. (1971) Acta Cryst., B27, 1730.CrossRefGoogle Scholar
  12. Cutfield, J. F., Dodson, E.J., Dodson, G.G., Hodgkin, D.C., Isaacs, N.W., Sakabe, K. and Sakabe, N. (1975) Acta Cryst., A31, S21.Google Scholar
  13. Fan Hai-Fu and Gu Yuan-Xin (1985) Acta Cryst., A41, 280.Google Scholar
  14. Fan Hai-Fu, Han Fu-Son, Qian Jin-Zi and Yao Jia-Xing (1984) Acta Cryst., A40, 489.CrossRefGoogle Scholar
  15. Fortier, S. , Fraser, M.E. and Moore, N.J. (1986) Acta Cryst., A42, 149.CrossRefGoogle Scholar
  16. Fortier, S., Glasgow, J. and Allen, F.H. (1991), In Direct Methods of Solving Crystal Structures , H. Schenk, ed. , Plenum Press, London.Google Scholar
  17. Fortier, S., Moore, N.J. and Fraser, M.E. (1985) Acta Cryst., A41, 571.CrossRefGoogle Scholar
  18. Fortier, S. and Nigam, G.D. (1989) Acta Cryst., A45, 247.CrossRefGoogle Scholar
  19. Fortier, S. , Weeks, C. M. and Hauptman, H. (1984) Acta Cryst., A40, 544.CrossRefGoogle Scholar
  20. Fraser, M.E. (1987) Ph.D. Thesis, Queen’s Univ., Kingston, Ontario, Canada.Google Scholar
  21. Furey, W. F., Robbins, A. H, Clancy, L. L., Winge, D. R., Wang, B. C. and Stout, C. D. (1986) Science, 231, 704.CrossRefGoogle Scholar
  22. Giacovazzo, C. (1980) Direct Methods in Crystallography, Academic Press, London.Google Scholar
  23. Giacovazzo, C. (1983) Acta Cryst., A39, 585.CrossRefGoogle Scholar
  24. Guss, J. M., Merritt, E. A., Phizackerley, R. P., Hedman, B., Murata, M., Hodgson, K. O. and Freeman, H. C. (1988) Science, 241, 806.CrossRefGoogle Scholar
  25. Hao Quan and Fan Hai-Fu (1988) Acta Cryst., A44, 379.CrossRefGoogle Scholar
  26. Hao Quan and Woolfson, M.M. (1989) Acta Cryst., A45, 794.CrossRefGoogle Scholar
  27. Hauptman, H. (1982a) Acta Cryst., A38, 289.CrossRefGoogle Scholar
  28. Hauptman, H. (1982b) Acta Cryst., A38, 632.CrossRefGoogle Scholar
  29. Hauptman, H., Potter, S. and Weeks, C. M. (1982) Acta Cryst., A38, 294.CrossRefGoogle Scholar
  30. Heinerman, J. J. L., Krabbendam, H., Kroon, J. and Spek, A. L. (1978) Acta Cryst., A34, 447.CrossRefGoogle Scholar
  31. Hendrickson, W. A. (1985) In Transactions of the ACA, Vol. 21.Google Scholar
  32. Hendrickson, W. A. (1988) In Crystallographic Computing 4, N. W. Issacs and M. R. Taylor, eds., pp. 97–108, Oxford University Press, New York.Google Scholar
  33. Hendrickson, W. A. (1990) Proceedings of the American Crystallographic Association Meeting, 8–13 April 1990, New Orleans, Louisiana, U. S.A. Abstract M01.Google Scholar
  34. Hendrickson, W.A. and Karle, J. (1973) J. Biol. Chem., 248, 3327.Google Scholar
  35. Hendrickson, W.A., Pähler, A., Smith, J.L., Satow, Y., Merrit, E.A. and Phizackerley, R.P. (1989) Proc. Natl. Acad. Sci. USA, 86, 2190.CrossRefGoogle Scholar
  36. Hendrickson, W.A. and Teeter, N.M. (1981) Nature, 290, 107.CrossRefGoogle Scholar
  37. Karle, J. (1980) Int. J. Quantum Chem. Symp., 7, 357.Google Scholar
  38. Karle, J. (1983) Acta Cryst., A39, 800.CrossRefGoogle Scholar
  39. Karle, J. (1984a) In Methods and Applications in Crystallographic Computing, S.R. Hall and T. Asheda eds., pp. 120–140, Clacendon Press, Oxford.Google Scholar
  40. Karle, J. (1984b) Acta Cryst., A40, 4.CrossRefGoogle Scholar
  41. Karle, J. (1984c) Acta Cryst., A40, 526.CrossRefGoogle Scholar
  42. Karle, J. (1985) Acta Cryst., A41, 387.CrossRefGoogle Scholar
  43. Karle, J. (1986) Acta Cryst., A42, 246.CrossRefGoogle Scholar
  44. Karle, J. (1989) Acta Cryst., A45, 765.CrossRefGoogle Scholar
  45. Klop, E.A. (1989) Ph.D. Thesis, U. of Utrecht, Utrecht, The Netherlands.Google Scholar
  46. Klop, E.A., Krabbendam, H. and Kroon, J. (1987) Acta Cryst., A43, 810.CrossRefGoogle Scholar
  47. Klop, E.A., Krabbendam, H. and Kroon, J. (1989) Acta Cryst., A45, 203.CrossRefGoogle Scholar
  48. Kroon, J., Spek, A.L. and Krabbendam, H. (1977) Acta Cryst., A33, 382.CrossRefGoogle Scholar
  49. Langs, D.A. (1986) Acta Cryst., A42, 362.CrossRefGoogle Scholar
  50. Murkherjee, A.K., Helliwell, J.R. and Main, P. (1989) Acta Cryst., A45, 715.CrossRefGoogle Scholar
  51. Navia, M.A. and Sigler, P.B. (1974) Acta Cryst., A30, 706.CrossRefGoogle Scholar
  52. Neidle, S. (1973) Acta Cryst., B29, 2645.CrossRefGoogle Scholar
  53. Okaya, Y. and Pepinsky, R. (1956) Phys. Rev., 103, 1645.CrossRefGoogle Scholar
  54. Okaya, Y., Saito, Y. and Pepinsky, R. (1955) Phys. Rev., 98, 1857.CrossRefGoogle Scholar
  55. Olthof, G.J. and Schenk, H. (1982) Acta Cryst., A38, 117.CrossRefGoogle Scholar
  56. Peederman, A.F. and Bijvoet, J.M. (1956). Proc. Koninkl Ned. Akad. Wetenschap., B59, 312.Google Scholar
  57. Perutz, M.F. and Scatturin, V. (1954) Acta Cryst., 7, 799.CrossRefGoogle Scholar
  58. Podjarny, A.D., Schevitz, R.W. and Sigler, P.B. (1981) Acta Cryst., A37, 662.CrossRefGoogle Scholar
  59. Qian Jin-Zi, Fan Hai-fu and Gu Yuan-Xin (1985) Acta Cryst., A41, 476.CrossRefGoogle Scholar
  60. Ramachandran, G.N. and Raman, S. (1956) Curr. Sci. (India), 25, 348.Google Scholar
  61. Raman, S. (1959) Zeitschrift für Kristallographie, 111, 301.CrossRefGoogle Scholar
  62. Rango, C. de, Mauguen, Y., Tsoucaris, G., Dodson, E.J., Dodson, G.G. and Taylor, D.J. (1985) Acta Cryst., A41, 3.CrossRefGoogle Scholar
  63. Reeke, G.N. and Lipscomb, W.N. (1969) Acta Cryst., B25, 2614.CrossRefGoogle Scholar
  64. Sayre, D. (1952) Acta Cryst., 5, 60.CrossRefGoogle Scholar
  65. Sayre, D. (1972) Acta Cryst., A28, 210.CrossRefGoogle Scholar
  66. Sayre, D. (1974) Acta Cryst., A30, 180.CrossRefGoogle Scholar
  67. Schenk, H. (1982) In Computational Crystallography, D. Sayre ed., pp. 231–241, Clarendon Press, Oxford.Google Scholar
  68. Schevitz, R.W., Navia, M.A., Bartz, D.A., Cornick, G., Rosa, J.J., Rosa, M.D.H. and Sigler, P.B. (1972) Science, 177, 429.CrossRefGoogle Scholar
  69. Schevitz, R.W., Podjarny, A., Zwick, M., Hughes, J.J. and Sigler, P.B. (1981) Acta Cryst., A37, 669.CrossRefGoogle Scholar
  70. Sim, G.A. (1959) Acta Cryst., 12, 813.CrossRefGoogle Scholar
  71. Sim, G.A. (1960) Acta Cryst., 13, 511.CrossRefGoogle Scholar
  72. Steitz, T. (1968) Acta Cryst., B24, 504.CrossRefGoogle Scholar
  73. Steitz, T.A., Flitterick, R.J. and Hwang, K.J. (1973) J. Mol. Biol., 78, 551.CrossRefGoogle Scholar
  74. Tsoucaris, G. (1980) In Theory and Practice of Direct Methods in Crystallography, M.F.C. Ladd and R.A. Palmer eds., pp. 287–359, Plenum Press, New York.CrossRefGoogle Scholar
  75. Wang, B.C. (1985) In Methods in Enzymology Vol 115., H. W. Wyckoff, C. H. W. Hirs and S. N. Timasheff eds., Academic Press, London.Google Scholar
  76. Weinzierl, J.E., Eisenberg, D. and Dickerson, R.E. (1969) Acta Cryst., B25, 380.CrossRefGoogle Scholar
  77. Westbrook, E.M., Piro, O.E. and Sigler, P.B. (1984). J. of Biol. Chem., 259, 9096.Google Scholar
  78. Wilson, A.J.C. (1949) Acta Cryst., 2, 318.CrossRefGoogle Scholar
  79. Wilson, K.S. (1978) Acta Cryst., B34, 1599.CrossRefGoogle Scholar
  80. Woolfson, M.M. and Yao Jia-Xing (1988) Acta Cryst., A44, 410.CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media New York 1991

Authors and Affiliations

  • Suzanne Fortier
    • 1
  1. 1.Department of ChemistryQueen’s UniversityKingstonCanada

Personalised recommendations