. Author manuscript; available in PMC: 2015 Jul 6.

Published in final edited form as: Biochemistry. 2015 Apr 29;54(18):2858–2873. doi: 10.1021/acs.biochem.5b00064

Table 4. Hg EXAFS Fitting Analysis of α₃DIV Compared to Hg–S Bonds of Relevant Model Compounds and Proteins.

complex	CN	geometry	Hg–S R (Å)	σ × 10³ (Å²)	F	pH	ref
Hg-α₃DIV^a	2		2.36	3.54	2.24	8.7	this work
	2.5		2.36	4.97	2.21
	3		2.36	6.20	2.21
Hg-TRIL16C^b	2 3		2.324 2.443			5.5 9.5	71
Hg-MerR^b	3		2.43			7.5	19
average of five models^c	2	linear	2.348				72
average of 11 models^c	3	trigonal	2.462				72
average of three models^c	3	trigonal T-shaped	2.497 avg two shortest bonds: 2.372				72

Data fit over a k range of 1 to 12 Å⁻¹.

Independent metal–ligand scattering environment at R < 3.0 Å. Scattering atoms: S (sulfur). F = number of degrees of freedom weighted mean square deviation between data and fit.

Hg(II)–S bond lengths determined from EXAFS.

Hg(II)–S bond lengths determined from an X-ray crystal structure (see Supporting Information).

Table 4. Hg EXAFS Fitting Analysis of α3DIV Compared to Hg–S Bonds of Relevant Model Compounds and Proteins.

Table 4. Hg EXAFS Fitting Analysis of α₃DIV Compared to Hg–S Bonds of Relevant Model Compounds and Proteins.