Table 2.

Structure Refinement Statistics.

	ToxA SeMet	ToxA	ToxA SAH	ToxA SAH DDMT	ToxA SAH Tox	ToxA Y7F SAH	ToxA Y7F SAH Tox	ToxA Y7A SAH	ToxA Y7A SAH Tox	ToxA SAH 1-DMT
No. of reflections	182,110	69,067	56,500	75,116	30,058	73,355	46,170	43,336	32,644	31,048
No. of reflections in working set	172,760	65,670	53,735	71,447	28,561	69,745	43,859	41,214	31,057	29,533
Resolution (Å)	45.0–1.76	19.4–1.57	39.3–1.60	17.7–1.55	38.8–2.0	29.1–1.52	19.8–1.77	34.0–1.79	38.1–1.93	18.6–1.56
No. of protein atoms	7,548	3,801	3,661	3,854	3,877	3,979	3,913	3,539	3,512	2,016
No. of waters	1,059	622	436	573	431	848	770	397	212	270
No. of ligand atoms	-	-	52	76	80	72	88	52	80	39
RMSD bonds (Å)	0.007	0.006	0.006	0.006	0.007	0.007	0.007	0.007	0.006	0.008
RMSD angles (deg)	1.022	1.066	1.041	1.051	1.071	1.139	1.089	1.029	1.010	1.164
Rwork (%)	16.4	16.1	18.0	21.6	15.1	13.4	15.4	17.6	17.4	15.3
Rfree (%)	20.1	18.5	21.7	25.2	20.5	15.9	19.9	21.3	23.1	17.6
Ramachandran analysis
Most favored (%)	93.8	92.4	93.2	94.5	93.2	94.0	93.3	94.8	93.7	94.8
Additional allowed (%)	6.2	7.6	6.8	5.5	6.8	6.0	6.7	5.2	6.3	5.2