Raw diffraction images of the first bromodomain of human BRD4 in complex with (+)-JD1
Bibliographic record
Abstract
Raw diffraction images of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor. The final structure is deposited in the Protein Data Bank under accession code 6SE4. The structure is part of the following publication: Hassell-Hart, S., Runcie, A., Krojer, T., Doyle, J., Lineham, E., Ocasio, C.A., Neto, B.A.D., Fedorov, O., Marsh, G., Maple, H., et al. (2019). Synthesis and Biological Investigation of (+)-JD1, an Organometallic BET Bromodomain Inhibitor. Organometallics. doi: 10.1021/acs.organomet.9b00750. Additional information: dataset: BRD4A-JD1_i03 beamline: Diamond Light Source I03 visit: mx19301-7 date: 25-11-2018 Flux: 2.03e+11 Ω Start: 0.0° Ω Osc: 0.15° Ω Overlap: 0° No. Images: 1200 Resolution: 1.50Å Wavelength: 0.9762Å Exposure: 0.030s Transmission: 100.00% Beamsize: 80x20μm datasets: BRD4A-JD1_i04 beamline: Diamond Light Source I04 visit: mx19301-9 date: 08-12-2018 Flux: 6.62e+11 Ω Start: 0.0° Ω Osc: 0.50° Ω Overlap: 0° No. Images: 720 Resolution: 2.30Å Wavelength: 1.7384Å Exposure: 0.050s Transmission: 100.00% Beamsize: 32x20μm Additionally, a cif file containing refinement restraints and a png file for the ligand JD1 is included.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.002 | 0.001 |
| Meta-epidemiology (broad) | 0.003 | 0.002 |
| Bibliometrics | 0.002 | 0.005 |
| Science and technology studies | 0.002 | 0.001 |
| Scholarly communication | 0.002 | 0.002 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.002 | 0.004 |
| Insufficient payload (model declined to judge) | 0.092 | 0.016 |
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 source (direct Gemma or distilled Codex), 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".