TABLE 2.
Structural results from multishell multiple-scattering analysis in the avian cyt bc1 complex
| Model | Ligand cluster | Zn-N (Å) | Zn-O (Å) | β (°) His | γ (°) Asp/Glu | δ (°) Lys | R (%) |  |
|---|---|---|---|---|---|---|---|---|
| a | 3 His (3Nɛ2) | 2.014 (9) | 130 (2) | 13.0 | 31.0 (7.6) | |||
| 1 Asp/Glu | 2.12 (2) | 119 (1) | ||||||
| b | 3 His (3Nδ1) | 2.012 (9) | 130 (2) | 14.9 | 107.4 (26.2) | |||
| 1 Asp/Glu | 2.12 (2) | 119 (1) | ||||||
| c | 3 His (2Nɛ2, 1Nδ1) | 2.012 (9) | 130 (2) | 13.4 | 61.8 (15.1) | |||
| 1 Asp/Glu | 2.12 (2) | 119 (1) | ||||||
| d | 3 His (1Nɛ2, 2Nδ1) | 2.012 (9) | 130 (2) | 14.0 | 83.9 (20.5) | |||
| 1 Asp/Glu | 2.11 (2) | 119 (1) | ||||||
| e | 3 His (3Nɛ2) | 2.014 (9) | 130 (2) | 12.7 | 44.4 (10.8) | |||
| 1 Gln/Asn | 2.12 (2) | 125 (2) | ||||||
| f | 3 His (3Nδ1) | 2.012 (9) | 130 (2) | 14.6 | 114.5 (27.9) | |||
| 1 Gln/Asn | 2.12 (2) | 125 (2) | ||||||
| g | 3 His (2Nɛ2, 1Nδ1) | 2.013 (9) | 130 (2) | 13.7 | 49.6 (12.1) | |||
| 1 Gln/Asn | 2.12 (2) | 125 (2) | ||||||
| h | 3 His (1Nɛ2, 2Nδ1) | 2.014 (9) | 130 (2) | 13.2 | 87.7 (21.4) | |||
| 1 Gln/Asn | 2.12 (2) | 125 (2) | ||||||
| i | 3 His (3Nɛ2) | 2.011 (9) | 133 (2) | 13.4 | 81.2 (19.5) | |||
| 1 H2O | 2.11 (2) | |||||||
| j | 3 His (3Nδ1) | 2.010 (9) | 133 (2) | 15.0 | 90.8 (21.8) | |||
| 1 H2O | 2.11 (2) | |||||||
| k | 3 His (2Nɛ2, 1Nδ1) | 2.012 (9) | 133 (2) | 13.7 | 71.1 (17.1) | |||
| 1 H2O | 2.12 (2) | |||||||
| l | 3 His (1Nɛ2, 2Nδ1) | 2.011 (9) | 133 (2) | 14.3 | 80.2 (19.3) | |||
| 1 H2O | 2.11 (2) | |||||||
| m | 2 His (2Nɛ2) | 2.03 (1) | 130 (5) | 12.2 | 37.8 (9.4) | |||
| 1 Asp/Glu | 2.11 (2) | 121 (2) | ||||||
| 1 Lys | 1.98 (2) | 127 (12) | ||||||
| n | 2 His (2Nδ1) | 2.03 (1) | 128 (2) | 13.1 | 99.0 (24.5) | |||
| 1 Asp/Glu | 2.10 (2) | 121 (1) | ||||||
| 1 Lys | 1.97 (3) | 130 (16) | ||||||
| o | 2 His (1Nɛ2, 1Nδ1) | 2.03 (1) | 129 (4) | 12.6 | 61.6 (15.3) | |||
| 1 Asp/Glu | 2.10 (2) | 120 (1) | ||||||
| 1 Lys | 1.97 (2) | 128 (14) |
The bending angle of the His imidazole group is indicated by β. Angles γ and δ refer to the Oδ1-Cγ-Oδ2 angle of Asp or Glu and the Zn-Nz-Cɛ angle of Lys, respectively (Fig. 4). The 1σ-error on the least significant figure of the structural parameters is reported in parentheses, as is the 1σ-uncertainty in 