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Joint Research Group Macromolecular Crystallography


More information about this tutorial can be found at:

More information about the three proteins insulin, thaumatin and lysozyme can be found at:

  • Voet, D., Voet, J. & Pratt, C. W. (2006). Fundamentals in Biochemistry -Life at the molecular level, 2nd Edition, John Wiley & Sons, Inc., Hoboken, NJ, USA.
  • Ko, T.-P., Day, J., Greenwood, A. & McPherson, A. (1994). Acta Cryst. D50, 813-825.
  • Blake, C. C. F., Koenig, D. F., Mair, G. A., North, A. C. T., Philipps, D. C. & Sarma, V. R. (1965). Nature 206, 757-761.
  • Brinkmann, C., Weiss, M. S. & Weckert, E. (2006). Acta Cryst. D62, 349-355.

More information about the PDB can be found at:

  • Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., Weissig, H., Shindyalov, I. N. & Bourne, P. E. (2000). Nucl. Acids Res. 28, 235-242.

More information about the program XDS can be found at:

  • Kabsch, W. (1993). J. Appl. Cryst. 26, 795-800.
  • Kabsch, W. (2010a). Acta Cryst. D66, 125-132.
  • Kabsch, W. (2010b). Acta Cryst. D66, 133-144.

More information about the CCP4 suite of programs can be found at:

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

More information about automated structure determination using Auto-Rickshaw can be found at:

  • Panjikar, S., Parthasarathy, V., Lamzin, V. S., Weiss, M. S. & Tucker, P. A. (2005). Acta Cryst. D61, 449-457.

More information about the SHELX suite of programs can be found at:

  • Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., Miller, R. & Uson, I. (2001). In International Tables for Crystallography, Vol. F, Eds. Rossmann, M. G. & Arnold, E., IUCr and Kluwer Academic Publishers, Dordrecht, pp. 333-351.
  • Sheldrick, G. M. (2002). Z. Kristallogr. 217, 644-650.
  • Schneider, T. R. & Sheldrick, G. M. (2002). Acta Cryst. D58, 1772-1779.
  • Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

More information about CNS can be found at:

  • Bruenger, A. T., Adams, P. D., Clore, G. M., DeLano, W. L., Gros, P., Gross-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.

More information about Arp/wArp can be found at:

  • Perrakis, A., Morris, R. J. & Lamzin, V. S. (1999). Nature Struct. Biol. 6, 458-463.

More information about COOT can be found at:

  • Emsley, P. & Cowtan, K. (2004). Acta Cryst. D60, 2126-2132.