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Figure 1.
Fig. 1. The –600 mV (A), –600 mV+CO[2] (B) and –320 mV
(C) states of cluster C. 2F[obs] – F[calc] maps in blue are
contoured at 1  , and F[obs] –
F[calc] maps in green are contoured at 4.5 . For the
calculation of the F[obs] – F[calc] map, the OH[x] ligand [(A)
and (C)] and the CO[2] ligand (B) have been removed from the
model. An alternative position found for Fe1, termed Fe1B, is
depicted in transparent light gray. The occupancies for the
alternative position have been estimated to 10 to 30%. Selected
distances are shown in Å. For more details on the geometry
of the three states, see figs. S2 to S4. All pictures were
prepared by using PyMol (23).
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