Table 2.
Continued
| Zn-S | Zn-C | Zn-C | |||||||||
| ΔE0 | N | R [Å] | σ2 | ΔE0 | N | R [Å] | σ2 | ΔE0 | N | R [Å] | σ2 |
| 0 [F] | 1 [F] | 2.24 (1) | 1.0E–06 | ||||||||
| −2.7 [F] | 1 [F] | 2.25 [F] | 1.0E–04 | ||||||||
| 0.8 [F] | 1 [F] | 2.25 (2) | 4.4E–03 | 7.0 [F] | 2 [F] | 2.77 (1) | 3.3E–03 | 7.0 [F] | 3 [F] | 3.08 [F] | 3.3E–03 |
| 0.8 [F] | 1 [F] | 2.23 (2) | 1.6E–03 | 7.0 [F] | 2 [F] | 2.77 (2) | 2.0E–04 | 7.0 [F] | 3 [F] | 3.08 [F] | 1.8E–03 |
| 0.8 [F] | 1 [F] | 2.24 (2) | 2.5E–06 | 7.0 [F] | 2 [F] | 2.77 (2) | 6.0E–04 | 7.0 [F] | 3 [F] | 3.08 [F] | 2.0E–03 |
| 0.2 [F] | 1 [F] | 2.30 (3) | 3.6E–03 | 0.2 [F] | 1 [F] | 2.71 [F] | 3.0E–03 | 0.2 [F] | 2 [F] | 2.95 [F] | 3.0E–03 |
| 0.2 [F] | 1 [F] | 2.27 (2) | 3.6E–03 | 0.2 [F] | 1 [F] | 2.71 [F] | 3.6E–03 | 0.2 [F] | 2 [F] | 2.95 [F] | 3.6E–03 |
| 0.2 [F] | 1 [F] | 2.27 (1) | 2.2E–03 | 0.2 [F] | 1 [F] | 2.71 [F] | 4.5E–03 | 0.2 [F] | 2 [F] | 2.95 [F] | 4.5E–03 |
| 0.2 [F] | 1 [F] | 2.27 (1) | 2.2E–03 | 0.2 [F] | 1 [F] | 2.71 [F] | 4.1E–03 | 0.2 [F] | 2 [F] | 2.95 [F] | 4.1E–03 |
| 3.3 [F] | 1 [F] | 2.30 (1) | 1.0E–06 | −6.0 [F] | 2 [F] | 2.83 (2) | 3.9E–03 | ||||
| 3.3 [F] | 1 [F] | 2.29 (1) | 3.2E–03 | −6.0 [F] | 2 [F] | 2.88 (4) | 3.6E–03 | ||||
| 3.3 [F] | 1 [F] | 2.26 (1) | 4.8E–03 | −6.0 [F] | 2 [F] | 2.91 (6) | 5.0E–03 | ||||
| 3.3 [F] | 1 [F] | 2.30 (1) | 1.0E–06 | −6.0 [F] | 2 [F] | 2.83 (2) | 2.8E–03 | ||||
| −2.5 [F] | 1 [F] | 2.26 (3) | 1.8E–03 | 7.2 [F] | 2 [F] | 3.03 (9) | 1.2E–02 | ||||
| −2.5 [F] | 1 [F] | 2.28 (1) | 3.8E–03 | 7.2 [F] | 2 [F] | 3.05 (2) | 1.2E–02 | ||||
| −2.5 [F] | 1 [F] | 2.26 (1) | 5.5E–03 | 7.2 [F] | 2 [F] | 3.06 (5) | 1.4E–02 | ||||
| −2.5 [F] | 1 [F] | 2.26 (1) | 5.0E–03 | 7.2 [F] | 2 [F] | 3.04 (5) | 1.4E–02 | ||||
Results of EXAFS curve-fitting analysis of apo-E60A (fits 1–3), apo-E60D (fits 8–11); E60A-TbADH in complex with NADP+ + DMSO, designated as E60A-complex (fits 4–7); and E60D-TbADH in complex with NADP+ + DMSO, designated as E60D-complex (fits 12–15). F stands for fixed and indicates that the respective parameter was fixed in the fit model; R, distance of atoms from the zinc ion in Angstoms; N, the number of atoms; σ2, the Debye-Waller factor; ΔE0, the correction to the energy origin. Fixing of specific parameter was executed only after varying it and choosing its best value. The uncertainties of the R parameter are shown in parentheses.
a Fitting results of wild-type TbADH and wild-type TbADH in complex with NADP+ + DMSO (designated wild-type TbADH-complex) are from Kleifeld et al. (2000a).