TABLE 4.

X-ray modeling fits for the MBL dimer, trimer, and tetramer solution structures

Search	Filter	Models	Hydrated spheres	Rg	Rxs	R-factor
				nm	nm	%
MBL dimer search 1 (0 nm separation)	None	6,859	1,471–1,755	7.40–12.30	0.05–2.88	10.9–15.6
	N, Rg, Rxs, R	12	1,527–1,733	7.60–11.38	1.67–2.30	10.9–11.6
	Best-fit	1	1,695	9.88	2.11	11.9
	Experimentala	NAb	1,609	10.42	1.84	NA
MBL dimer search 2 (3.3 nm separation)	None	6,859	1,596–1,756	7.39–11.83	0.13–2.69	8.7–16.6
	N, Rg, Rxs, R	12	1,659–1,731	10.43–11.12	1.70–2.09	8.7–9.1
	Best-fit	1	1,710	10.43	2.09	9.0
MBL dimer search 3 (4.8 nm separation)	None	6,859	1,592–1,748	7.42–12.10	0.02–2.76	9.5–16.3
	N, Rg, Rxs, R	12	1,673–1,718	10.66–11.01	2.01–2.22	9.5–9.9
	Best-fit	1	1,717	10.79	2.10	9.5
MBL dimer search 4 (6.6 nm separation)	None	6,859	1,416–1,747	7.35–13.80	0.01–2.86	9.9–16.0
	N, Rg, Rxs, R	12	1,660–1,712	10.25–10.97	1.97–2.44	10.2–10.4
	Best-fit	1	1,684	10.46	2.32	10.2
MBL trimer search 1	None	6,859	2,269–2,554	10.74–14.79	0.61–2.99	7.1–17.2
	N, Rg, Rxs, R	12	2,416–2,524	10.96–12.26	1.34–2.49	7.1–7.5
	Best-fit	1	2,518	12.25	2.03	7.4
MBL trimer search 2	None	2,028	2,253–2,591	0.34–15.80	0.04–3.17	7.1–79.0
	N, Rg, Rxs, R	12	2,507–2,552	12.33–12.89	1.21–2.15	7.1–8.0
	Best-fit	1	2,530	12.60	1.87	7.1
	Experimentala	NA	2,413	12.43	1.95	NA
MBL tetramer search 1	None	900	3,033–3,411	1.20–44.28	0.01–7.50	14.2 to >100
	N, Rg, Rxs, R	10	3,221–3,344	14.12–17.85	1.17–4.1	14.5–17.6
	Best-fit	1	3,296	17.08	1.43	14.5
	Experimental	NA	3,217	13.80	2.20	NA

^a The experimental values are the same in the four dimer and two trimer searches.

^b NA means not applicable.