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. F:18:18.9:529–533.
- 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;