 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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![[Figure 7]](yj5002fig7mag.jpg)
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Figure 7
Quantum-refined structures of homocitrate in Mo nitrogenase: 1Ha with the small QM system in a vacuum (a), ɛ = 4 (b) and ɛ = 80 (c); 1Ha with the large QM system in a vacuum (d), ɛ = 4 (e) and ɛ = 80 (f); 2H with the small QM system in a vacuum (g), ɛ = 4 (h) and ɛ = 80 (i); 2H with the large QM system in a vacuum (j), ɛ = 4 (k) and ɛ = 80 (l). The mFo − DFc difference maps are contoured at +2.5σ (green) and −2.5σ (red). |
![[Figure 7]](yj5002fig7.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
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