Table 2. Occupancies of the catalytic metal M2 and alternate conformations of active site amino acid residues as a function of dose.

				Glu 217		His 220		Asp 255		Asp 257
DWD (MGy)	M2a	M2b	M2c	A	B	A	B	A	B	A	B
0.13	0.41	0.55	0.04	0.13	0.87	0.32	0.68	0.42	0.58	0.38	0.62
0.76	0.44	0.52	0.04	0.14	0.86	0.36	0.64	0.37	0.63	0.35	0.65
1.38	0.41	0.55	0.04	0.13	0.87	0.33	0.67	0.39	0.61	0.33	0.67
2.01	0.41	0.54	0.05	0.14	0.86	0.31	0.69	0.40	0.60	0.35	0.65
2.63	0.40	0.55	0.05	0.14	0.86	0.33	0.67	0.33	0.65	0.37	0.63
3.25	0.42	0.51	0.07	0.13	0.87	0.31	0.69	0.37	0.63	0.34	0.66
3.88	0.46	0.50	0.04	0.14	0.86	0.33	0.67	0.38	0.62	0.38	0.62