. 2015 Aug 20;137(35):11391–11398. doi: 10.1021/jacs.5b06220

Table 1. Parameters Describing the Individual Lobe Magnetic Susceptibility Tensors Obtained from δ_PCS Using the Dy³⁺ Labeled Sevoflurane Analogue and the La³⁺ Labeled Diamagnetic Reference^a.

	N-lobe	std	C-lobe	std
ΔX_ax (10^–32 m³)	–0.208	0.034	0.839	0.065
ΔX_rh (10^–32 m³)	–0.045	0.025	0.266	0.046
x (Å)	17.3	0.4	16.6	0.2
y (Å)	12.3	0.4	25.8	0.4
z (Å)	–5.4	0.5	–25.7	0.4
α (deg)	118	7	177	54
β (deg)	101	4	52	24
γ (deg)	36	12	170	51

Values are reported for equimolar 0.1 mM calmodulin lobe and ligand concentrations. The axial and rhombic components of the magnetic susceptibility tensor are subject to scaling with the protein occupancy. Parameters were fitted with the Numbat software⁶⁹ using the experimental δ_PCS and the calmodulin structure with PDB ID 1X02.⁶⁸ Errors estimated are reported as one standard deviation (std) based on 1000 times repeated fitting with random removal of 10% of the δ_PCS in each run.

Table 1. Parameters Describing the Individual Lobe Magnetic Susceptibility Tensors Obtained from δPCS Using the Dy3+ Labeled Sevoflurane Analogue and the La3+ Labeled Diamagnetic Referencea.

Table 1. Parameters Describing the Individual Lobe Magnetic Susceptibility Tensors Obtained from δ_PCS Using the Dy³⁺ Labeled Sevoflurane Analogue and the La³⁺ Labeled Diamagnetic Reference^a.