. Author manuscript; available in PMC: 2019 Sep 19.

Published in final edited form as: J Am Chem Soc. 2018 Sep 10;140(37):11777–11783. doi: 10.1021/jacs.8b07277

Table 1.

Gaussian resolved bands for the observed transitions reported in Figure 1 along with the values of their excited state splittings. All values are in cm⁻¹. ^aThe second transition associated with this site is not observed and likely ~10,000 cm⁻¹ from VTVH MCD spectroscopy. ^bThree transitions have been observed but the bands have not been assigned to a single Fe^II site.

Enzyme	Band 1	Band 2	Δ⁵E
Fe^II Sites
wt-FIH	8950	10700	1750
D201GCl	9200	11200	2000
D201G	9100	10950	1850
D201E	9050	10800	1750
D201A	9150	10950	1800
Fe^II/αKG Sites
wt-FIH	8900	11100	2300
D201GCl	8950	11550	2600
D201GCl	7400	^a
D201G	8900	11300	2400
D201E	8850	11550	2700
D201A	9100	11400	2300
Fe^II/αKG/CAD Sites
wt-FIH	<5000	7950	>3000
wt-FIH	9000	11150	2150
D201GCl	<5000	9250	>4,250
D201GCl	6200	10900	4,700
D201G	<5000	8800	>3800
D201G	6100	11350	5,250
D201E^b	8950	11500	>2,500
D201E^b		14000
D201A^b	<5000	9100	>2,500
D201A^b		11600