Table 1.
Δχ-tensor parameters for lanthanide ions in complex with LBT-DR/KE, determined on the basis of the monomer structure of DR and the PCS values obtained from LBT-DR signals
| Tb3+ | Tm3+ | Dy3+ | Er3+ | |
|---|---|---|---|---|
| Δχaax | 40.8 ± 1.1 | −27.2 ± 1.3 | 28.6 ± 1.5 | −10.4 ± 0.3 |
| Δχarh | 20.7 ± 0.9 | −18.9 ± 1.0 | 21.7 ± 1.0 | −9.1 ± 0.2 |
| αb | 119 | 114 | 124 | 114 |
| βb | 106 | 107 | 108 | 107 |
| γb | 15 | 2 | 37 | 14 |
aΔχax and Δχrh values are in 10−32 [m3] and error estimates were obtained by Monte-Carlo protocol using the 100 partial PCS data sets in which 30% of the input data were randomly deleted. During the Monte–Carlo analysis, the metal position was allowed to vary within a range of ±0.3 Å
bEuler angle rotations in ZXZ convention (degrees)