Table II.

Occupancy Values Obtained During the Main and Additional Rounds of Refinement of the Models FID > 594, FID = 594, and FID < 594

	FID > 594 (2PEV)	FID = 594 (2PF8)	FID < 594 (2PFH)
Occupancy values of
Alternate A (inhibitor 594 and residues 299–305, 309 and water molecules)	0.43	0.63	0.8
Alternate B (inhibitor FID and residues 299–305, 309 and water molecules)	0.57	0.37	0.2
Occupancy value of Br atom of 594 refined separately	0.4	0.6	0.76
Occupancy values of the inhibitors refined separately
Inhibitor 594	0.43	0.63	0.8
Inhibitor FID	0.57	0.37	0.2
Occupancy values of the loop 299–305 refined separately
Conformation A	0.43	0.61	0.79
Conformation B	0.57	0.39	0.21
Occupancy of 309 residue refined separately
>  Conformation A	0.4	0.63	0.78
>  Conformation B	0.6	0.37	0.22
Occupancy of the part of inhibitor 594 refined separately	0.42	0.64	0.79