Chapter 18.9 Macromolecular applications of SHELX
Crystallography of biological macromolecules
Second Online Edition (2012)
Part 18. Refinement
Published Online: 14 APR 2012
© International Union of Crystallography 2006
International Tables for Crystallography
How to Cite
Sheldrick, G. M. 2012. Macromolecular applications of SHELX. International Tables for Crystallography. 529–533.
- Published Online: 14 APR 2012
The SHELX system for small‐molecule crystallography dates back to the early 1970s. The current refinement program, SHELXL97, is also useful for high‐resolution macromolecular refinement. SHELXC, D and E are more recent additions for experimental phasing using single‐wavelength anomalous dispersion (SAD), single isomorphous replacement (SIR), combined SAD and SIR (SIRAS), multi‐wavelength anomalous dispersion (MAD) and radiation‐damage‐induced phasing (RIP) data. They are fast and simple to use, and in favourable cases produce high‐quality maps despite very weak initial phase information.
- experimental phasing;
- substructure solution;
- density modification;