Rapid and automated substructure solution by Shake-and-Bake

Acta Crystallographica Section D: Biological Crystallography

Volumn 64, Issue 2, 2008, Pages 172-177

  Xu, Hongliang ^a   Weeks, Charles M ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

Direct methods; Shake and Bake; Substructure solution

Indexed keywords

PROTEIN;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER PROGRAM; INSTRUMENTATION; METHODOLOGY; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; CRYSTALLOGRAPHY, X-RAY; PROTEINS; SOFTWARE;

EID: 38549139090     PISSN: 09074449     EISSN: 13990047     Source Type: Journal    
DOI: 10.1107/S0907444907058659     Document Type: Article

References (43)

1. Abendroth, J., Niefind, K. & Schomburg, D. (2002). J. Mol. Biol. 320, 143-156.
2. Alphey, M. S., Bond, C. S., Tetaud, E., Fairlamb, A. H. & Hunter, W. N. (2000). J. Mol. Biol. 300, 903-916.
3. Appleby, T. C., Erion, M. D. & Ealick, S. E. (1999). Structure, 7, 629-641.
4. Appleby, T. C., Kinsland, C. L., Begley, T. P. & Ealick, S. E. (2000). Proc. Natl Acad. Sci. USA, 97, 2005-2010.
5. Arjunan, P., Nemeria, N., Brunskill, A., Chandrasekhar, K., Sax, M., Yan, Y., Jordan, F., Guest, J. R. & Furey, W. (2002). Biochemistry, 41, 5213-5221.
6. Blessing, R. H. & Smith, G. D. (1999). J. Appl. Cryst. 32, 664-670.
7. Butcher, S. J., Grimes, J. M., Makeyev, E. V. & Bamford, D. H. (2001). Nature (London), 410, 235-240.
8. Chen, C. C. H., Zhang, H., Kim, A. D., Howard, A., Sheldrick, G. M., Dunaway-Mariano, D. & Herzberg, O. (2002). Biochemistry, 41, 13162-13169.
9. Cheng, G., Bennett, E. M., Begley, T. P. & Ealick, S. E. (2002). Structure, 10, 225-235.
10. Deacon, A. M., Ni, Y. S., Coleman, W. G. Jr & Ealick, S. E. (2000). Structure, 8, 453-462.
11. Debaerdemaeker, T. & Woolfson, M. M. (1983). Acta Cryst. A39, 193-196.
12. Delft, F. von, Inoue, T., Saldanha, S. A., Ottenhof, H. H., Schmitzberger, F., Birch, L. M., Dhanaraj, V., Witty, M., Smith, A. G., Blundell, T. L. & Abell, C. (2003). Structure, 11, 985-996.
13. DeTitta, G. T., Weeks, C. M., Thuman, P., Miller, R. & Hauptman, H. A. (1994). Acta Cryst. A50, 203-210.
14. Ekstrom, J. L., Mathews, I. I., Stanley, B. A., Pegg, A. E. & Ealick, S. E. (1999). Structure, 7, 583-595.
15. Frazão, C., Sieker, L., Sheldrick, G. M., Lamzin, V., LeGall, J. & Carrondo, M. A. (1999). J. Biol. Inorg. Chem. 4, 162-165.
16. Germain, G. & Woolfson, M. M. (1968). Acta Cryst. B24, 91-96.
17. Green, D. W., Inoram, V. M. & Perutz, M. F. (1954). Proc. R. Soc. London Ser. A, 225, 287-307.
18. Gulick, A. M., Lu, X. & Dunaway-Mariano, D. (2004). Biochemistry, 43, 8670-8679.
19. Harker, D. (1956). Acta Cryst. 9, 1-9.
20. Hauptman, H. A., Xu, H., Weeks, C. M. & Miller, R. (1999). Acta Cryst. A55, 891-900.
21. Hendrickson, W. (1991). Science, 254, 51-58.
22. Istvan, E. S., Palnitkar, M., Buchanan, S. K. & Deisenhofer, J. (2000). EMBO J. 19, 819-830.
23. Karle, J. (1989). Acta Cryst. A45, 303-307.
24. Karle, J. & Hauptman, H. (1956). Acta Cryst. 9, 635-651.
25. Lamers, M. H., Perrakis, A., Enzlin, J. H., Winterwerp, H. H., De Wind, N. & Sixma, T. K. (2000). Nature (London), 407, 711-717.
26. Li, C., Kappock, T. J., Stubbe, J., Weaver, T. M. & Ealick, S. E. (1999). Structure, 7, 1155-1166.
27. McCarthy, A. A., Baker, H. M., Shewry, S. C., Patchett, M. L. & Baker, E. N. (2001). Structure, 9, 637-646.
28. Mathews, I. I., Erion, M. D. & Ealick, S. E. (1998). Biochemistry, 37, 15607-15620.
29. Mathews, I. I., Kappock, T. J., Stubbe, J. & Ealick, S. E. (1999). Structure, 7, 1395-1406.
30. Miller, R., Gallo, S. M., Khalak, H. G. & Weeks, C. M. (1994). J. Appl. Cryst. 27, 613-621.
31. Schneider, T. R. & Sheldrick, G. M. (2002). Acta Cryst. D58, 1772-1779.
32. Sheldrick, G. M. (1998). Direct Methods for Solving Macromolecular Structures, edited by S. Fortier, pp. 401-411. Dordrecht: Kluwer Academic Publishers.
33. Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., Miller, R. & Usón, I. (2001). International Tables for Crystallography, Vol. F, edited by M. G. Rossmann & E. Arnold, pp. 333-345. Dordrecht: Kluwer Academic Publishers.
34. Steitz, T. A. (1968). Acta Cryst. B24, 504-507.
35. Turner, M. A., Yuan, C. S., Borchardt, R. T., Hershfield, M. S., Smith, G. D. & Howell, P. L. (1998). Nature Struct. Biol. 5, 369-376.
36. Wang, W., Kappock, T. J., Stubbe, J. & Ealick, S. E. (1998). Biochemistry, 37, 1564-15662.
37. Weeks, C. M., Blessing, R. H., Miller, R., Mungee, R., Potter, S. A., Rappleye, J., Smith, G. D., Xu, H. & Furey, W. (2002). Z. Kristallogr. 217, 686-693.
38. Weeks, C. M., DeTitta, G. T., Hauptman, H. A., Thuman, P. & Miller, R. (1994). Acta Cryst. A50, 210-220.
39. Weeks, C. M. & Miller, R. (1999). J. Appl. Cryst. 32, 120-124.
40. Weeks, C. M., Sheldrick, G. M., Miller, R., Usón, I. & Hauptman, H. A. (2001). Advances in Structure Analysis, edited by R. Kužel & J. Hašek, pp. 37-64. Prague: Czech & Slovak Crystallographic Assocation.
41. Xu, H. & Hauptman, H. A. (2004). Acta Cryst. A60, 153-157.
42. Xu, H., Hauptman, H. A. & Weeks, C. M. (2002). Acta Cryst. D58, 90-96.
43. Xu, H., Weeks, C. M. & Hauptman, H. A. (2005). Acta Cryst. D61, 976-981.