 | Acta Crystallographica Section F Acta Crystallographica Section F STRUCTURAL BIOLOGY COMMUNICATIONS |
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![[Figure 3]](tb5112fig3mag.jpg)
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Figure 3
Difference maps calculated with coefficients (|Fo| − |Fc|)exp(iαc). Haems a3 are drawn as stick models, with C, N and O atoms coloured yellow, blue and red, respectively. Fea3 and CuB are shown as red and brown spheres, respectively. A peroxide ion is shown as a stick with a bond length of 1.50 Å. All difference maps were drawn at the 3.0σ level. (a) The difference map for refinement with the peroxide bond length constrained to 1.50 Å. The residual density map indicates two peaks each close to CuB and Fea3. These peaks were assigned as partially occupied O atoms. (b) The difference map calculated with the peroxide bond length constrained to 1.50 Å and the occupancies of the peroxide and a pair of O atoms set to 90 and 10%, respectively. The residual density in the dioxygen-reduction centre is significantly lower than in the other cases. |
![[Figure 3]](tb5112fig3.jpg)
| STRUCTURAL BIOLOGY COMMUNICATIONS |
ISSN: 2053-230X
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