Improved crystal orientation and physical properties from single-shot XFEL stills

Acta Crystallographica Section D: Biological Crystallography

Volumn 70, Issue 12, 2014, Pages 3299-3309

  Sauter, Nicholas K ^a   Hattne, Johan ^a   Brewster, Aaron S ^a   Echols, Nathaniel ^a   Zwart, Petrus H ^a   Adams, Paul D ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

single shot exposures; X ray free electron lasers

Indexed keywords

ALGORITHM; CHEMICAL MODEL; COMPUTER SIMULATION; LASER; PROCEDURES; STATISTICAL MODEL; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; LASERS; LIKELIHOOD FUNCTIONS; MODELS, CHEMICAL;

EID: 84916896473     PISSN: 09074449     EISSN: 13990047     Source Type: Journal    
DOI: 10.1107/S1399004714024134     Document Type: Article

References (43)

1. Adams, P. D. et al. (2010). Acta Cryst. D66, 213-221.
2. Amann, J. et al. (2012). Nature Photonics, 6, 693-698.
3. Axford, D., Ji, X., Stuart, D. I. and Sutton, G. (2014). Acta Cryst. D70, 1435-1441.
4. Barends, T. R., Foucar, L., Botha, S., Doak, R. B., Shoeman, R. L., Nass, K., Koglin, J. E., Williams, G. J., Boutet, S., Messerschmidt, M. and Schlichting, I. (2013). Nature (London), 505, 244-247.
5. Battye, T. G. G., Kontogiannis, L., Johnson, O., Powell, H. R. and Leslie, A. G. W. (2011). Acta Cryst. D67, 271-281.
6. Bolotovsky, R. and Coppens, P. (1997). J. Appl. Cryst. 30, 65-70.
7. Boutet, S. et al. (2012). Science, 337, 362-364.
8. Chapman, H. N. et al. (2011). Nature (London), 470, 73-77.
9. Emma, P. et al. (2010). Nature Photonics, 4, 641-647.
10. Gati, C., Bourenkov, G., Klinge, M., Rehders, D., Stellato, F., Oberthür, D., Yefanov, O., Sommer, B. P., Mogk, S., Duszenko, M., Betzel, C., Schneider, T. R., Chapman, H. N. and Redecke, L. (2014). IUCrJ, 1, 87-94.
11. Grimes, J. M., Burroughs, J. N., Gouet, P., Diprose, J. M., Malby, R., Ziéntara, S., Mertens, P. P. C. and Stuart, D. I. (1998). Nature (London), 395, 470-478.
12. Grosse-Kunstleve, R. W., Sauter, N. K., Moriarty, N. W. and Adams, P. D. (2002). J. Appl. Cryst. 35, 126-136.
13. Hattne, J. et al. (2014). Nature Methods, 11, 545-548.
14. Heymann, M., Opthalage, A., Wierman, J. L., Akella, S., Szebenyi, D. M. E., Gruner, S. M. and Fraden, S. (2014). IUCrJ, 1, 349-360.
15. Jones, A., Bartels, K. and Schwager, P. (1977). The Rotation Method in Crystallography, edited by U. W. Arndt and A. J. Wonacott, pp. 105- 117. Amsterdam: North Holland.
16. Juers, D. H., Lovelace, J., Bellamy, H. D., Snell, E. H., Matthews, B.W. and Borgstahl, G. E. O. (2007). Acta Cryst. D63, 1139-1153.
17. Kabsch, W. (2010). Acta Cryst. D66, 133-144.
18. Kabsch, W. (2014). Acta Cryst. D70, 2204-2216.
19. Keedy, D. A., van den Bedem, H., Sivak, D. A., Petsko, G. A., Ringe, D., Wilson, M. A. and Fraser, J. S. (2014). Structure, 22, 899-910.
20. Kern, J. et al. (2012). Proc. Natl Acad. Sci. USA, 109, 9721-9726.
21. Kern, J. et al. (2013). Science, 340, 491-495.
22. Kern, J. et al. (2014). Nature Commun. 5, 4371.
23. Kirian, R. A., Wang, X., Weierstall, U., Schmidt, K. E., Spence, J. C. H., Hunter, M., Fromme, P., White, T., Chapman, H. N. and Holton, J. (2010). Opt. Express, 18, 5713-5723.
24. Kirian, R. A., White, T. A., Holton, J. M., Chapman, H. N., Fromme, P., Barty, A., Lomb, L., Aquila, A., Maia, F. R. N. C., Martin, A. V., Fromme, R., Wang, X., Hunter, M. S., Schmidt, K. E. and Spence, J. C. H. (2011). Acta Cryst. A67, 131-140.
25. Liu, W. et al. (2013). Science, 342, 1521-1524.
26. McCoy, A. J. (2004). Acta Cryst. D60, 2169-2183.
27. Nave, C. (1998). Acta Cryst. D54, 848-853.
28. Nave, C. (2014). J. Synchrotron Rad. 21, 537-546.
29. Owen, R. L., Paterson, N., Axford, D., Aishima, J., Schulze-Briese, C., Ren, J., Fry, E. E., Stuart, D. I. and Evans, G. (2014). Acta Cryst. D70, 1248-1256.
30. Paciorek, W. A., Meyer, M. and Chapuis, G. (1999). Acta Cryst. A55, 543-557.
31. Padilla, J. E. and Yeates, T. O. (2003). Acta Cryst. D59, 1124-1130.
32. Redecke, L. et al. (2013). Science, 339, 227-230.
33. Roessler, C. G., Kuczewski, A., Stearns, R., Ellson, R., Olechno, J., Orville, A. M., Allaire, M., Soares, A. S. and Héroux, A. (2013). J. Synchrotron Rad. 20, 805-808.
34. Rossmann, M. G., Leslie, A. G. W., Abdel-Meguid, S. S. and Tsukihara, T. (1979). J. Appl. Cryst. 12, 570-581.
35. Sauter, N. K., Grosse-Kunstleve, R.W. and Adams, P. D. (2004). J. Appl. Cryst. 37, 399-409.
36. Sauter, N. K., Grosse-Kunstleve, R.W. and Adams, P. D. (2006). J. Appl. Cryst. 39, 158-168.
37. Scherrer, P. (1918). Nachr. Ges. Wiss. Göttingen, 2, 98-100.
38. Sierra, R. G. et al. (2012). Acta Cryst. D68, 1584-1587.
39. Stellato, F. et al. (2014). IUCrJ, 1, 204-212.
40. Steller, I., Bolotovsky, R. and Rossmann, M. G. (1997). J. Appl. Cryst. 30, 1036-1040.
41. Winkler, F. K., Schutt, C. E. and Harrison, S. C. (1979). Acta Cryst. A35, 901-911.
42. Zhang, Z., Sauter, N. K., van den Bedem, H., Snell, G. and Deacon, A. M. (2006). J. Appl. Cryst. 39, 112-119.
43. Zwart, P. H., Grosse-Kunstleve, R. W. and Adams, P. D. (2005). CCP4 Newsl. Protein Crystallogr. 43, contribution 7.