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Structure factor calculations for a side-by-side model of B-DNA
S R Hubbard1, R J Greenall, A K Shrive
1Department of Physics, University of York, UK.
International Journal of Biological Macromolecules
|August 1, 1994
Summary
The side-by-side DNA model does not fit crystalline fibers as well as the double helix model. This study rejects the side-by-side model as a possible conformation for B-DNA.
Area of Science:
- Molecular Biology
- Crystallography
Background:
- The B-DNA conformation is crucial for understanding genetic material.
- Alternative models, such as the side-by-side DNA model, have been proposed.
Purpose of the Study:
- To investigate the validity of the side-by-side DNA model.
- To compare its structural fit with the established B-DNA double helix model in crystalline fibers.
Main Methods:
- Crystallographic analysis of the side-by-side DNA model.
- Comparison of packing efficiency and Bragg amplitude prediction with the B-DNA double helix.
- Calculation of crystallographic R factors under general and constrained conditions.
Main Results:
- The side-by-side model exhibits poorer packing efficiency in the unit cell compared to the B-DNA double helix.
- The B-DNA double helix model provides a more accurate prediction of observed Bragg amplitudes.
- The side-by-side model yields significantly higher R factors (43.43%–45.53%) than the double helix model (34.33%–34.51%).
Conclusions:
- The side-by-side DNA model is not a viable conformation for B-DNA in crystalline fibers.
- The B-DNA double helix model remains the superior and accepted conformation based on crystallographic data.