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. Author manuscript; available in PMC: 2014 Aug 8.
Published in final edited form as: J Phys Chem B. 2013 Jul 29;117(31):10.1021/jp401551t. doi: 10.1021/jp401551t

Table 1.

Measured back ET rate constants for the fast kinetic phase in solution and in crystals, and donor-acceptor distances from crystal structures. The relative mean-squared electronic couplings from the PATHWAY model with respect to the WT values appear in the last column. HDA2rel=HDA2/HDA2WT based on Fe-to-ZnP tunneling.

Crystal Data a Soln Datab PWc

keb
(s−1)
RZn–Fe (Å) Red–ed
(Å)
Rtrp-heme (Å) keb (s−1) HDA2rel
WT 6,000 26.5 15.6 13.6 4,900 1
F82W 5,800 26.4 15.6 14.0 -- 1.0
F82S 2,000 26.3 15.4 13.5 2,500 1.0
F82I 2,100 29.8 22.6 19.4 1,900 0.02
F82Y 4,000 29.4 22.8 19.6 4,300 0.003
a

All taken from Ref. 7.

b

All are taken from Ref. 17.

c

Heme-ZnP PATHWAY couplings