Table 3.
15N-HYSCORE simulation parameters for 63Cu(II)-15N-BlLPMO10A with and without squid pen β-chitin
63Cu-15N-BlLPMO10A | 63Cu-15N-BlLPMO10A + β-chitin | |||||
aiso | T | A Frame Euler angles | aiso | T | A Frame Euler angles | |
N(A) ⊥ | 2.40 (0.02) | 0.34 (0.03) | [10 100 60] | 2.20 (0.05) | 0.40 (0.02) | [10 110 60] |
N(B) ⊥ | 2.00 (0.05) | 0.30 (0.05) | [0 94 20] | 1.90 (0.05) | 0.35 (0.05) | [120 70 0] |
N(A) ∥ | 2.40 (0.02) | 0.34 (0.05) | [10 100 60] | 2.25 (0.05) | 0.40 (0.05) | [10 110 60] |
N(B) ∥ | 2.00 (0.05) | 0.30 (0.05) | [0 94 20] | 1.85 (0.05) | 0.35 (0.05) | [120 60 0] |
The perpendicular and parallel symbols are used to define the set of simulation parameters used for the spectra collected at that field position (∥ for 3,060 or 3,090 G and ⊥ for 3,995 G). The numbers in brackets represent the error on the measurement estimated from the quality of simulated fits. The Euler angles define the zy′z″ rotations with respect to the g matrix directions.