Table 2.
Spin Hamiltonian Parameters for Simulation of Mössbauer Spectra of [3Fe-4S]0 Clusters
| species | ZFS parameters | δ (mm/s) | ΔEQ (mm/s) | η | β (deg)a | A/gnβn (T) | ref | |
|---|---|---|---|---|---|---|---|---|
| Bt MiaB [3Fe-4S]0-like cluster | DS=2 = −2.4 cm−1 | site 1, sol. 1 | 0.31 | 0.58 | 2 | 0 | (+12.3, +12.3, +12.3) | this work |
| sol. 2 | 0.31 | 0.58 | 2 | 0 | (+12.3, +12.5, +12.3) | |||
| site 2, sol. 1 | 0.35 | 1.02 | 1 | 0 | (−11.7, −18.0, −11.6) | |||
| (E/D)S=2 = 0.26 | sol. 2 | 0.47 | 1.28 | 2 | 0 | (−11.2, −18.5, −11.4) | ||
| site 3, sol. 1 | 0.61 | 1.04 | −2 | 0 | (−10.0, −18.0, −10.0) | |||
| sol. 2 | 0.48 | 0.78 | 0 | 0 | (−10.0, −18.4, −10.3) | |||
| Ec LipA [3Fe-4S]0-like cluster | DS=2 = −4.0 cm−1 | FeIII | 0.31 | −0.55 | −2 | 16 | (+10.0, +11.8, +11.8) | 42 |
| (E/D)S=2 = 0.23 | Fe22.5+ | 0.44 | 0.98 | 0.4 | 25 | (−14.1, −14.1, −11.4) | ||
| Dg ferredoxin [3Fe-4S]0 cluster | DS=2 = −2.5 cm−1 | FeIII | 0.32 | −0.52 | −2 | 16 | (+10.0, +11.5, +12.6) | 54 |
| (E/D)S=2 = 0.23 | Fe22.5+ | 0.46 | 1.47 | 0.4 | 20 | (−14.9, −14.9, −11.9) | ||
| Av ferredoxin [3Fe-4S]0 cluster (pH 6) | DS=2 = −2.5 cm−1 | FeIII | 0.29 | −0.47 | 0.8 | 20 | (+10.9, +10.2, +12.6) | 55 |
| (E/D)S=2 = 0.23 | Fe22.5+ | 0.47 | 1.41 | 1.1 | 24 | (−15.2, −18.2, −10.4) | ||
| 0.47 | 1.41 | 0.2 | 24 | (−13.8, −16.0, −12.1) | ||||
| Av ferredoxin [3Fe-4S]0 cluster (pH 8.5) | DS=2 = −2.5 cm−1 | Fem | 0.29 | −0.47 | 5 | 27 | (+11.6, +10.2, +12.5) | 55 |
| Fe22.5+ | 0.47 | 1.41 | 1 | 19 | (−13.8, −19.6, −12.1) | |||
| (E/D)S=2 = 0.23 | 0.47 | 1.41 | 0 | 19 | (−14.5, −16.0, − 12.1) |
a
Euler angle β as defined in ref 24.