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The distances derived with (pulse) ENDOR measurements depend on the oxygen spin density of the radicals. For the systems studied here this value is not precisly known and may vary somewhat between the different species, where both the distance and angle of the hydrogen bond may affect the spin density. Using eq 2 a 10% error in spin density would thus lead to a corresponding 3% error in distance r, i.e., about 0.05 Å.
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The two waters can be found in pdb data file 1XSM.pdb as atoms 2396 (B) and 2397 (C)
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The two waters can be found in pdb data file 1XSM.pdb as atoms 2396 (B) and 2397 (C).
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