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Many Ways to Derivatize Macromolecules and Their Crystals for Phasing
Miroslawa Dauter1, Zbigniew Dauter2
1Basic Science Program, Leidos Biomedical Research, Inc., Argonne National Laboratory, Argonne, IL, 60439, USA. dauter@anl.gov.
Solving novel macromolecular structures often requires the special-atom method, utilizing elements like sulfur or metals for X-ray diffraction phasing. While derivatization is experimental, various techniques increase the likelihood of successful crystal structure determination.
Area of Science:
- Structural Biology
- Biophysics
- Crystallography
Background:
- Molecular replacement is common for known structures.
- Novel macromolecular structures require alternative phasing methods.
Purpose of the Study:
- To highlight the importance of the special-atom method for novel structures.
- To discuss various derivatization techniques for phasing.
Main Methods:
- Utilizing naturally occurring or introduced special atoms (sulfur, phosphorus, metals).
- Employing isomorphous and/or anomalous scattering of X-rays.
- Exploring derivatization through genetic engineering, chemical synthesis, or crystal soaking.
Main Results:
- Special atoms enable phasing for previously unsolvable structures.
- Derivatization is a trial-and-error process but offers high success probability.
Conclusions:
- The special-atom method is crucial for solving novel macromolecular crystal structures.
- Diverse derivatization strategies improve the chances of successful structure solution.
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