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. Author manuscript; available in PMC: 2010 Sep 2.
Published in final edited form as: J Am Chem Soc. 2009 Sep 2;131(34):12265–12272. doi: 10.1021/ja903409j

Figure 4.

Figure 4

Electron densities for the distal pocket residues, non-coordinated and coordinated water, and the proximal histidine in the deoxygenated (Fe2+) and met (Fe3) forms of H64L (2MGD, 2MGE) and H64L/V68N (3H57, 3H58) recombinant sperm whale Mb. Occupancies for the water electron density (shown in blue) are given in Table 2. The 2FO-FC maps for wt deoxy and metMb were taken from Quillin et al.27 The structures of the double mutant were determined for this work. The middle column contains simulated annealing omit maps calculated using (FO-FC)αC coefficients without any distal pocket water in the model. The final deposited model and structure factors with distal pocket water included were used to construct the 2FO-FC map in the last column (PDB codes: 3H58, 3H57).