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The EMBL-HH Automated Crystal Structure Determination Platform

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Reference for Auto-Rickshaw :
Panjikar, S., Parthasarathy, V., Lamzin, V. S., Weiss, M. S.  & Tucker, P. A. (2005). Auto-Rickshaw - An automated crystal structure determination platform as an efficient tool for the validation of an X-ray diffraction experiment. Acta Cryst. D61, 449-457.

Panjikar S., Parthasarathy, V., Lamzin, V., Weiss, M.S., Tucker, P.A., (2009). On the combination of molecular replacement and single anomalous diffraction phasing for automated structure determination Acta Cryst. D65,1089-1097.
Auto-Rickshaw invokes the following programs using its decision makers.  

CCP4[1],  SHELXC[2],  SHELXD[3], SHELXE[4], MLPHARE[1], NANTMRF[5], BP3[6,7], SHARP[8], DM[9], RESOLVE[10], MAPMAN[11], ESSENS[12], ARP/wARP[13,14], HELICAP[14], OAISIS2004[15],ABS[16].

Bibliography:

1.  Collaborative Computational Project, Number 4 (1994). Acta Cryst. D50, 760-763.

2.  Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., Miller, R. & Usón, I. (2001). International Tables for
Macromolecular Crystallography, Vol. F, edited by M. G. Rossmann & E. Arnold, ch. 16, pp. 333-345.
Dordrecht: Kluwer Academic Publishers.

3. Schneider, T. R. & Sheldrick, G. M. (2002). Acta Cryst. D58, 1772-1779.

4. Sheldrick, G. M., (2002). Z. Kristallogr. 217, 644-650.

5. Smith G. D. (2002). J. Appl.Cryst. 35, 368-370.

6. Pannu, N. S., McCoy, A. J. & Read, R. J. (2003). Acta Cryst. D59, 1801-1808.

7. Pannu, N. S., & Read, R. J. (2004). Acta Cryst. D60, 22-27.

8. La Fortelle, E. de & Bricogne, G. (1997). Methods Enzymol. 276, 472-494.

9. Cowtan, K. (1994). Joint CCP4 and ESF-EACBM Newsletter on protein crystallography, 31, 34-38

10. Terwilliger, T. C. (2000). Acta Cryst. D56, 965-972.

11. Jones, T.A. & Thirup S. (1986). EMBO J. 5, 819-822.

12. Kleywegt, G. J. & Jones, T. A. (1997). Acta Cryst. D53, 179-185.

13. Perrakis, A., Morris, R. J. & Lamzin, V. S. (1999). Nature Struct. Biol. 6, 458-463.
 
14. Morris, R. J., Zwart, P. H., Cohen, S., Fernandez, F. J., Kakaris, M., Kirillova, O., Vonrhein, C., Perrakis, A. & Lamzin, V. S. (2004). J. Synchr. Rad. 11, 56-59.

15. OASIS-2004: a direct-method program for ab initio phasing and reciprocal-space fragment extension with SAD/SIR Data,Institute of Physics, Chinese Academy of Sciences, Beijing 100080, P. R. China

16. Hao, Q. (2004). ABS: a program to determine absolute configuration and evaluate anomalous scatterer substructure. J. Appl. Cryst. 37, 498-499.



Last Edited: 08.09.2009 by Santosh Panjikar