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. Author manuscript; available in PMC: 2013 Jan 6.
Published in final edited form as: J Mol Biol. 2011 Oct 28;415(1):102–117. doi: 10.1016/j.jmb.2011.10.040

Table 3.

Zn bond-valence sum (BVS) values calculated using EXAFS Zn-O/N distances (R) of AP and NPP samples for a range of possible Zn coordination numbers (N).a

Zn BVS

N
RZn-O/N(Å) 4 4.5 5 5.5 6
1.97 2.09 2.34 2.58 2.82 3.07
1.98 2.04 2.27 2.51 2.75 2.98
2.00 1.93 2.15 2.38 2.60 2.83
2.03 1.78 1.99 2.19 2.40 2.61
a

BVS values were calculated with Equation 1, using B = 0.37 Å and R0 = 1.77 Å for Zn-N, 1.704 Å for Zn-O 43. RZn-O/N values are from Table 2.