Case-Controlled Structure Validation
Author Information
Author(s): Randy J. Read, Gerard J. Kleywegt
Primary Institution: University of Cambridge
Hypothesis
Can a case-matched control protocol improve the comparison of macromolecular structures?
Conclusion
The study found little evidence for systematic differences in quality between structures from structural genomics and traditional sources when controlling for relevant factors.
Supporting Evidence
- Structures from structural genomics efforts were found to be smaller and diffracted to higher resolution.
- Validation criteria showed little dependence on the size of the asymmetric unit once other factors were controlled.
- High-impact journals published structures with poorer validation statistics, but this was largely due to size and resolution differences.
Takeaway
This study helps scientists compare different protein structures better by matching them with similar ones, so they can see if one is really better than the other.
Methodology
The study used a case-control approach to match structures based on resolution, year of deposition, and asymmetric unit volume.
Potential Biases
Potential biases may arise from the selection of structures and the criteria used for matching.
Limitations
The study did not account for all possible factors influencing structure quality, such as noncrystallographic symmetry and effects of twinning.
Digital Object Identifier (DOI)
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