 | Acta Crystallographica Section F Acta Crystallographica Section F STRUCTURAL BIOLOGY COMMUNICATIONS |
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![[Figure 3]](nw5131fig3mag.jpg)
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Figure 3
Neutron structures of oxidized and reduced R-FNR. (a) Comparison of X-ray and neutron structures around FAD/FADH2. Left: oxidized form, X-ray structure (model, green; water, dark red) and neutron structure (model, cyan; O atoms of water, red). Each model was aligned based on the positions of all Cα atoms (backbone r.m.s.d. = 0.102 Å). Right: reduced form, X-ray structure (conformer A, yellow; conformer B, pale orange; water, light orange) and neutron structure (model, salmon pink; O atoms of water, orange). Each model was aligned based on the positions of all Cα atoms (backbone r.m.s.d. = 0.158 Å). (b) Neutron maps around FAD/FADH2. The neutron Fo − Fc neutron omit scattering length density (SLD) map is contoured with positive (green) and negative (red) density at +3.2σ and −3.2σ, respectively. The oxidized form is shown on the left and the reduced form is shown on the right. D-fractions are also listed in the right corner. (c) Enlarged view of the isoalloxazine ring in the reduced-state neutron structure. The neutron Fo − Fc neutron omit SLD map of D atoms added during reduction is contoured with positive density (green) at +3.2σ. Black dashed lines indicate hydrogen bonds. The right panel shows the structure rotated by 90° along the x axis and 90° along the y axis. |
![[Figure 3]](nw5131fig3.jpg)
| STRUCTURAL BIOLOGY COMMUNICATIONS |
ISSN: 2053-230X
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