References

More information about this tutorial can be found at:

• Annette Faust, Santosh Panjikar, Uwe Muller, Venkataraman Parthasarathy, Andrea Schmidt, Victor Lamzin, and Manfred S. Weiss (2008). J. Appl. Cryst. 41, 1161-1172.
• Annette Faust, Sandra Puehringer, Nora Darowski, Santosh Panjikar, Kay Diederichs, Uwe Muller, and Manfred S. Weiss (2010). J. Appl. Cryst. (submitted for publication).

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.