. Author manuscript; available in PMC: 2009 Aug 12.

Published in final edited form as: Biochemistry. 2008 Jul 16;47(32):8386–8397. doi: 10.1021/bi800818w

Table 3.

Summary of Spin-Hamiltonian Parameters for reduced MMOH, MMOH-wt-MMOB, MMOH-S109A/T111A, MMOH-MMOB-N107A/S110A, and MMOH-MMOB-T111Y Using the Doublet Model with Spin-Hamiltonian Analysis and the Spin-Projection Model. D₁ is the ZFS of the iron center associated with the transition energy shown in the brackets.

	Reduced MMOH (10290 cm⁻¹)
	doublet model	spin projection model
J (cm⁻¹)	+0.2 < J < +0.4	+0.2 < J < +0.4
D₁ (cm⁻¹)	−10 < D₁ < −3	−10 < D₁ < −6
E₁/D₁ (cm⁻¹)	> 0	0.01–0.33
D₂ (cm⁻¹)	−5 < D₂ < −1	−4 < D₂ < −2
E₂/D₂ (cm⁻¹)	> 0	0.01–0.33
polarization	N/A	59.7% z, 40.3% x
	Reduced MMOH-wt-MMOB (7750 cm⁻¹)
	doublet model	spin-projection model
J (cm⁻¹)	+0.3 < J < +0.5	+0.3 < J < +0.5
D₁ (cm⁻¹)	−9 < D₁ < −3	−6 < D₁ < −3
E₁/D₁ (cm⁻¹)	> 0	0.05–0.33
D₂ (cm⁻¹)	−9 < D₂ < −3	−6 < D₂ < −3
E₂/D₂ (cm⁻¹)	> 0	0.1–0.33
polarization	N/A	98.4% z, 1% x, 0.6% y
	Reduced MMOH-MMOB-S109A/T111A (7750 cm⁻¹)
	doublet model	spin-projection model
J (cm⁻¹)	+0.3 < J < +0.5	+0.3 < J < +0.5
D₁ (cm⁻¹)	−9 < D₁ < −4	−8 < D₁ < −4
E₁/D₁ (cm⁻¹)	> 0	0.05–0.33
D₂ (cm⁻¹)	−7 < D₂ < −3	−6 < D₂ < −3
E₂/D₂ (cm⁻¹)	> 0	0.05–0.33
polarization	N/A	86.6% z, 10.8% x, 2.6% y
	Reduced MMOH-MMOB-N107A/S110A (8140 cm⁻¹)
	doublet model	spin-projection model
J (cm⁻¹)	+0.2 < J < +0.3	+0.2 < J < 0.35
D₁ (cm⁻¹)	−10 < D₁ < -2	−10 < D₁ < -2
E₁/D₁ (cm⁻¹)	> 0	0.1–0.33
D₂ (cm⁻¹)	−10 < D₂ < -2	−10 < D₂ < -2
E₂/D₂ (cm⁻¹)	> 0	0.1–0.33
polarization	N/A	71.3% y, 24.7% z, 4% x
	Reduced MMOH-MMOB-T111Y (9540 cm⁻¹)
	doublet model	spin-projection model
J (cm⁻¹)	+0.2 < J < +0.4	+0.2 < J < +0.4
D₁ (cm⁻¹)	−9 < D₁ < −3	−8 < D₁ < −3
E₁/D₁ (cm⁻¹)	> 0	0.005–0.33
D₂ (cm⁻¹)	−8 < D₂ < −3	−8 < D₂ < −3
E₂/D₂ (cm⁻¹)	> 0	0.005–0.33
polarization	N/A	70.1% z, 19.6% x, 10.3% y