. Author manuscript; available in PMC: 2016 Apr 29.

Published in final edited form as: Eur Biophys J. 2011 Jun 28;40(11):1259–1270. doi: 10.1007/s00249-011-0713-4

Table 3.

Summary of the results from analysis of the four proposed Zn²⁺ coordination models, M_n

Sample	Model	〈r_i〉(Å)	x_in	〈r_in〉(Å)	(BVS)_in
S₁_Zn	M₁	2.026 ± 0.009	0.30	1.99 ± 0.02	1.88 ± 0.08
	M₂		0.65	1.89 ± 0.03	2.5 ± 0.3
	M₃		0.77	1.78 ± 0.05	3.3 ± 0.5
	M₄		0.82	1.67 ± 0.07	4.6 ± 0.9
S₂_Zn	M₁	2.051 ± 0.007	0.58	2.00 ± 0.02	1.8 ± 0.1
	M₂		0.79	1.92 ± 0.04	2.3 ± 0.4
	M₃		0.86	1.83 ± 0.07	2.9 ± 0.5
	M₄		0.90	1.7 ± 0.1	4 ± 1
S₃_Zn	M₁	2.075 ± 0.007	0.67	2.08 ± 0.03	1.5 ± 0.1
	M₂		0.83	2.08 ± 0.05	1.5 ± 0.2
	M₃		0.89	2.08 ± 0.09	1.5 ± 0.4
	M₄		0.92	2.1 ± 0.1	1.5 ± 0.5
Buffer		2.075 ± 0.005			2.2 ± 0.2

Column 1 shows the measured samples, column 2 the proposed model, column 3 the fraction of Zn²⁺ in buffer (from Eq. (7)), column 4 the mean first shell distance (computed from Eq. (6)), column 5 the (BVS) values computed from Eq. (9)