Table 1.
Experimental and calculated spin Hamiltonian parameters for WT CuA Az and the M123X (X = Q, L, H) variants
Axial variants | Exp. | Calc. | ||||
gz | AzCu1* | AzCu2 | gz | AzCu1 | AzCu2 | |
(10−4⋅cm−1) | (10−4⋅cm−1) | |||||
WT | 2.177 | 53 | 53 | 2.192 | 55 | 63 |
M123Q | 2.174 | 61 | 57 | 2.190 | 60 | 68 |
M123L | 2.215 | 35 | 35 | 2.209 | 48 | 59 |
M123H | 2.255 | 58 | 42 | 2.214 | 52 | 55 |
Note that the experimental A-values are approximate and dependent on the fit protocol. Results of two fits are given in SI Appendix, Fig. S3.