Automatic multiple-zone rigid-body refinement with a large convergence radius

Journal of Applied Crystallography

Volumn 42, Issue 4, 2009, Pages 607-615

  Afonine, Pavel V ^a   Grosse Kunstleve, Ralf W ^a   Urzhumtsev, Alexandre ^b,c   Adams, Paul D ^a,d  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b INSTITUT DE GÉNÉTIQUE ET DE BIOLOGIE MOLÉCULAIRE ET CELLULAIRE   (France)

^c UNIVERSITÉ DE LORRAINE   (France)

^d UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Multiple zone protocols; Rigid body refinement

Indexed keywords

EID: 67651152857     PISSN: 00218898     EISSN: 16005767     Source Type: Journal    
DOI: 10.1107/S0021889809023528     Document Type: Article

References (47)

1. Adams, P. D., Grosse-Kunstleve, R. W., Hung, L.-W., Ioerger, T. R., McCoy, A. J., Moriarty, N. W., Read, R. J., Sacchettini, J. C., Sauter, N. K. & Terwilliger, T. C. (2002). Acta Cryst. D58, 1948-1954.
2. Afonine, P. V., Grosse-Kunstleve, R. W. & Adams, P. D. (2005a). Acta Cryst. D61, 850-855.
3. Afonine, P. V., Grosse-Kunstleve, R. W. & Adams, P. D. (2005b). CCP4 Newsletter No. 42, http://www.ccp4.ac.uk/ newsletters/newsletter42/content.html.
4. Afonine, P. V., Grosse-Kunstleve, R. W., Adams, P. D., Lunin, V. Y. & Urzhumtsev, A. (2007). Acta Cryst. D63, 1194-1197.
5. Afonine, P. V., Lunin, V. Y., Muzet, N. & Urzhumtsev, A. (2004). Acta Cryst. D60, 260-274.
6. Badger, J. (1997). Methods Enzymol. 277, 344-352.
7. Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., Weissig, H., Shindyalow, I. N. & Bourne, P. E. (2000). Nucleic Acids Res. 28, 235-242.
8. Blow, D. M. & Crick, F. H. C. (1959). Acta Cryst. 12, 794-802.
9. Booth, A. D. (1947a). Nature (London), 160. 196.
10. Booth, A. D. (1947b). J. Chem. Phys. 15. 415.
11. Booth, A. D. (1949). Proc. R. Soc. London Ser. A, 197, 336-355.
12. Brü nger, A. T. (1990a). Acta Cryst. A46, 46-57.
13. Brü nger, A. T. (1990b). X-PLOR Manual. Versio. 2.1. Yale University, New Haven, USA.
14. Brü nger, A. T. (1991). Acta Cryst. A47, 195-204.
15. Brü nger, A. T., Adams, P. D., Clore, G. M., DeLano, W. L., Gros, P., Grosse-Kunstleve, R. W., Jiang, J.-S., Kuszewski, J., Nilges, M., Pannu, N. S., Read, R. J., Rice, L. M., Simonson, T. &Warren, G. L. (1998). Acta Cryst. D54, 905-921.
16. Castellano, E. E., Oliva, G. & Navaza, J. (1992). J. Appl. Cryst. 25, 281-284.
17. Cochran, W. (1948). Acta Cryst. 1. 273.
18. Collaborative Computational Project, Number . (1994). Acta Cryst. D50, 760-763.
19. Derewenda, Z. S. (1989). Acta Cryst. A45, 227-234.
20. Driessen, H., Haneef, M. I. J., Harris, G. W., Howlin, B., Khan, G. & Moss, D. S. (1989). J. Appl. Cryst. 22, 510-516.
21. Grosse-Kunstleve, R. W. (1999). Acta Cryst. A55, 383-395.
22. Hendrickson, W. A. (1991). Science, 254, 51-58.
23. Hoard, L. G. & Nordman, C. E. (1979). Acta Cryst. A35, 1010-1015.
24. Huber, R. & Schneider, M. (1985). J. Appl. Cryst. 18, 165-169.
25. Jiang, J.-S. & Brü nger, A. T. (1994). J. Mol. Biol. 243, 100-155.
26. Kostrewa, D. (1997). CCP4 Newsl. 34, 9-22.
27. Kronenburg, M. J. (2004). Acta Cryst. A60, 250-256.
28. Liu, D. C. & Nocedal, J. (1989). Math. Program. 45, 503-528.
29. Lebedev, A. A., Vagin, A. A. & Murshudov, G. N. (2008). Acta Cryst. D64, 33-39.
30. Lunin, V. Y., Afonine, P. V. & Urzhumtsev, A. G. (2002). Acta Cryst. A58, 270-282.
31. Lunin, V. Yu. & Skovoroda, T. P. (1995). Acta Cryst. A51, 880-887.
32. McCoy, A. J. (2007). Acta Cryst. D63, 32-41.
33. Murshudov, G. N., Vagin, A. A. & Dodson, E. J. (1997). Acta Cryst. D53, 240-255.
34. Navaza, J. (2001). Acta Cryst. D57, 1367-1372.
35. Navaza, J., Lepault, J., Rey, F. A.,A ́ lvarez-Rú a, C. & Borge, J. (2002). Acta Cryst. D58, 1820-1825.
36. Noble, M. E. M., Zeelen, J. P., Wierenga, R. K., Mainfroid, V., Goraj, K., Gohimont, A.-C. & Martial, J. A. (1993). Acta Cryst. D49, 403- 417.
37. Rossmann, M. G. & Arnold, E. (2001). Editors. International Tables for Crystallography, Vol. F, pp. 263-292. Dorderecht: Kluwer Academic Publishers.
38. Scheringer, C. (1963). Acta Cryst. 16, 546-550.
39. Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
40. Sheldrick, G. M. & Schneider, T. R. (1997). Methods Enzymol. 277, 319-343.
41. Sussman, J. L., Holbrook, S. R., Church, G. M. & Kim, S.-H. (1977). Acta Cryst. A33, 800-804.
42. Tronrud, D. E. (2004). Acta Cryst. D60, 2156-2168.
43. Urzhumtsev, A. G., Lunin, V. Yu. & Vernoslova, E. A. (1989). J. Appl. Cryst. 22, 500-506.
44. Urzhumtseva, L. M. & Urzhumtsev, A. G. (1997). J. Appl. Cryst. 30, 402-410.
45. Weisstein, E.W. (2006). Euler Angles, http://mathworld.wolfram. com/EulerAngles.html.
46. Yeates, T. O. & Rees, D. C. (1988). J. Appl. Cryst. 21, 925-928.
47. Yeates, T. O. & Rini, J. M. (1990). Acta Cryst. A46, 352-359.