A Single-Crystal Electron Paramagnetic Resonance Study at 95 GHz of the Type 1 Copper Site of the Green Nitrite Reductase of <i>Alcaligenes f</i><i>aecalis</i>
Bibliographic record
Abstract
An electron-spin-echo−detected electron paramagnetic resonance (EPR) study has been performed for the type 1 copper site of the green nitrite reductase of Alcaligenes faecalis . Accurate g values and principal directions of the g tensor have been obtained. The z principal axis of the g tensor makes an angle of 60° with the direction from copper to the Sδ of the axial methionine. The direction of this axis is compared with that of the blue type 1 proteins azurin and M121Q azurin and of the green type 1 protein M121H azurin, and interpreted in terms of the d orbital at copper in the wave function of the unpaired electron. This d orbital is oriented such that the overlap with the lone-pair orbitals of the ligands is maximum. The relation between the absorption spectrum in the visible, the copper−thiolate interaction, and the rhombicity of the EPR spectrum of type 1 proteins is discussed in terms of the trigonal and tetragonal character of the copper sites and the position and strength of the axial ligand.
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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 | 0.000 | 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 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".