. Author manuscript; available in PMC: 2019 Feb 5.

Published in final edited form as: J Am Chem Soc. 2018 Sep 28;140(40):12947–12963. doi: 10.1021/jacs.8b07613

Table 5.

¹³C_β-cysteine hyperfine parameters of reduced [2Fe–2S]⁺ (S = 1/2) cluster.

Enzyme	g₁	g₂	g₃	A (¹³C) (MHz)					Euler angle [α, β, γ]°	¹³C_β-cysteine coordinated to	Ref.
Enzyme	g₁	g₂	g₃	A₁	A₂	A₃	a_iso	T	Euler angle [α, β, γ]°	¹³C_β-cysteine coordinated to	Ref.
FdxB^a	2.020	1.936	1.934	0	−0.4	3.7	1.1	1.3	[40, 81, 13]	ferric	⁶⁴
				−1.2	−1.6	2.2	−0.2	1.2	[−30, −19, 82]	ferric
				2.3	2.3	3.8	2.8	0.5	[0, 50, 0]	ferrous
				1.3	1.3	2.8	1.8	0.5	[0, −60, 0]	ferrous
TthNEET^b	2.009	1.932	1.896	0.2	−0.2	3.6	1.2	1.2	[54, 27, 64]	ferric	⁶⁴
				−1.3	−1.7	2.7	−0.1	1.4	[53, −58, 59]	ferric
				2.7	2.7	3.6	3.0	0.3	[0, 20, 0]	ferrous
ARF^C	2.022	1.901	1.804	−0.4	−0.6	3.4	0.8	1.3	[−35, −59, 89]	ferric	⁶⁴
ARF^C	2.022	1.901	1.804	−0.7	−1.1	3.0	0.4	1.3	[25, 53, 0]	ferric	⁶⁴
Ferredoxin^d		-		0.76 - 1.20					-	-	⁹⁰
Ferredoxin^d		-		1.90 - 2.10					-	-	⁹⁰
¹³C9^e	1.993	1.941	1.847	1.30	0.85	4.98	2.37	1.30	[90, 11, 100]	-	this work

FdxB = ferredoxin from Pseudomonas putida.

TthNEET = thermophile mitoNEET homologue from Thermus thermophilus.

ARF = archaeal Rieske from Sulfolobus solfataricus.

Ferredoxin from anabaena 7120 ferredoxin.

^l3C9 of the BioB paramagnetic intermediate.