Single wavelength anomalous dispersion

Single-wavelength anomalous dispersion (abbreviated SAD) is a technique used in X-ray crystallography that facilitates the determination of the structure of proteins or other biological macromolecules by allowing the solution of the phase problem. In contrast to multi-wavelength anomalous dispersion, SAD uses a single dataset at a single appropriate wavelength. One advantage of the technique is the minimization of time spent in the beam by the crystal, thus reducing potential radiation damage to the molecule while collecting data.

Contents 1 See also 1.1 Anomalous Dispersion 1.2 Isomorphous Replacement 1.3 Other 2 References 2.1 Further reading 3 External links 3.1 Computer programs 3.2 Tutorials and examples

See also

Anomalous Dispersion

• Multi-wavelength anomalous dispersion (MAD)
• Single wavelength anomalous dispersion (SAD)

Isomorphous Replacement

Two methods for providing the needed phasing information by introducing heavy atoms into isomorphous crystals:

• Multiple isomorphous replacement (MIR); and
• Single isomorphous replacement with anomalous signal (SIRAS)

Other

• Patterson map

References

Further reading

• WA Hendrickson (1985). "Analysis of Protein Structure from Diffraction Measurement at Multiple Wavelengths". Trans. ACA Vol 21.
• J Karle (1980). "Some Developments in Anomalous Dispersion for the Structural Investigation of Macromolecular Systems in Biology". International Journal of Quantum Chemistry: Quantum Biology Symposium 7, 357-367.
• J Karle (1989). "Linear Algebraic Analyses of Structures with One Predominant Type of Anomalous Scatterer". Acta Cryst. A45, 303-307.
• A Pahler, JL Smith & WA Hendrickson (1990). "A Probability Representation for Phase Information from Multiwavelength Anomalous Dispersion". Acta Cryst. A46, 537-540.
• TC Terwilliger (1994). "MAD Phasing: Bayesian Estimates of FA" Acta Cryst. D50, 11-16.
• TC Terwilliger (1994). "MAD Phasing: Treatment of Dispersive Differences as Isomorphous Replacement Information" Acta Cryst. D50, 17-23.
• R Fourme, W Shepard, R Kahn, G l'Hermite & IL de La Sierra (1995). "The Multiwavelength Anomalous Solvent Contrast (MASC) Method in Macrocolecular Crystallography". J. Synchrotron Rad. 2, 36-48.
• E de la Fortelle & G Bricogne (1997) "Maximum-Likelihood Heavy-Atom Parameter Refinement for Multiple Isomorphous Replacement and Multiwavelength Anomalous Diffraction Methods". Methods in Enzymology 276, 472-494.
• WA Hendrickson and CM Ogata (1997) "Phase Determination from Multiwavelength Anomalous Diffraction Measurements". Methods in Enzymology 276, 494-523.
• J Bella & MG Rossmann (1998). "A General Phasing Algorithm for Multiple MAD and MIR Data" Acta Cryst. D54, 159-174.
• JM Guss, EA Merritt, RP Phizackerley, B Hedman, M Murata, KO Hodgson, & HC Freeman (1989). "Phase determination by multiple-wavelength X-ray diffraction: crystal structure of a basic blue copper protein from cucumbers". Science 241, 806-811.

External links

• MAD phasing — an in depth tutorial with examples, illustrations, and references.

Computer programs

• The SSRL Absorption Package — Brennan S, Cowan PL (1992). "A suite of programs for calculating x-ray absorption, reflection and diffraction performance for a variety of materials at arbitrary wavelengths". Rev. Sci. Instrum. 63 (1): 850. Bibcode 1992RScI...63..850B. doi:10.1063/1.1142625. 
• CHOOCH — Evans G, Pettifer RF (2001). "CHOOCH: a program for deriving anomalous-scattering factors from X-ray fluorescence spectra". J. Appl. Cryst. 34 (1): 82–86. doi:10.1107/S0021889800014655. 
• Shake-and-Bake (SnB) — Smith GD, Nagar B, Rini JM, Hauptman HA, Blessing RH (1998). "The use of Snb to determine an anomalous scattering substructure". Acta Cryst D 54 (Pt 5): 799–804. doi:10.1107/S0907444997018805. PMID 9757093. 
• SHELX — Sheldrick GM (1998). "SHELX: applications to macromolecules". In S Fortier. Direct methods for solving macromolecular structures. Dordrecht: Kluwer Academic Publishers. p. 401–411. ISBN 0-7923-4949-0. 

Tutorials and examples

• Evans, Gwyndaf (October 1994). "The method of Multiple wavelength Anomalous Diffraction using Synchrotron Radiation at optimal X-ray energies: Application to Protein Crystallography". PhD Thesis. University of Warwick. http://www.gwyndafevans.co.uk/thesis-html/thesis.html.