Exploiting Protein Engineering and Crystal Polymorphism for Successful X-ray Structure Determination
Bibliographic record
Abstract
The preparation of high quality crystals is a central issue in the process of determining 3D structures of biomolecules by X-ray crystallography. The success of this key step frequently depends upon the right choice and the rigorous characterization of the target. Further, the identification and refinement of the growth conditions of a supplementary crystalline polymorph may be profitable. Four representative examples illustrate how the critical parameters can be handled. These case studies include chemically and structurally different biological entities: bacterial RNA chaperone Hfq, human mitochondrial enzyme tyrosyl-tRNA synthetase, yeast exosome subcomplex, and icosahedral virus causing grapevine fanleaf disease. The winding paths which led to the determination of each structure at atomic resolution are described together with related crystallogenesis strategies.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".