Table 1.

Data collection and refinement statistics

Each dataset was collected from a single crystal.

	STINGCBD–c-di-GMP complex	STINGCBD–c-di-AMP complex (complete lid)	STINGCBD–c-di-AMP complex (incomplete lid)	STINGCBD–3′,3′-cGAMP complex	STINGCBD–2′,3′-cGAMP complex
Protein Data Bank codes	6A04	6A03	6IYF	6A05	6A06
Data collection
Wavelength (Å)	0.9798	0.9798	0.9798	0.9798	0.9798
Space group	P 21 21 21	P 21 21 21	P 21 21 21	P 21 21 21	P 21 21 21
Cell dimensions
a, b, c (Å)	49.691, 63.949, 101.591	50.517, 80.459, 101.564	49.785, 65.896, 100.571	49.405, 64.741, 100.953	49.628, 63.311, 101.036
α, β, γ	90.00, 90.00, 90.00	90.00, 90.00, 90.00	90.00, 90.00, 90.00	90.00, 90.00, 90.00	90.00, 90.00, 90.00
Resolution (Å)	50.00–1.90 (1.97–1.90)a	50.00–2.60 (2.69–2.60)	50.00–1.76 (1.79–1.76)	50.00–2.20 (2.28–2.20)	50.00–1.80 (1.86–1.80)
Rmerge(%)	7.8 (41.3)	13.7 (54.3)	8.0 (71.1)	8.7 (50.7)	5.5 (44.9)
〈I/σ(I)〉	42.20 (6.28)	19.85 (3.87)	21.37 (1.28)	30.52 (4.59)	47.45 (5.42)
Completeness (%)	97.9 (100.0)	100.0 (100.0)	99.1 (84.1)	100.0 (100.0)	99.2 (99.0)
Redundancy	6.6 (6.9)	7.1 (7.3)	7.1 (6.1)	6.9 (6.9)	7.0 (7.0)
Refinement
No. of reflections	25,597	13,319	33,277	16,950	30,287
Rwork/Rfree (%)	20.21/24.96	20.00/25.72	19.36/24.21	22.15/27.35	17.53/21.99
No. of atoms
Protein	2910	2841	2795	2921	2929
Ligand	46	44	44	45	45
Water	151	76	136	37	214
B-factors (Å2)
Protein	39.24	34.74	31.60	47.39	31.20
Ligand	33.53	28.79	30.05	41.84	22.92
Water	38.47	32.04	34.75	35.63	34.59
Root mean square deviation
Bond lengths (Å)	0.007	0.003	0.011	0.008	0.006
Bond angles (°)	0.888	0.700	1.255	1.252	0.857
Ramachandran plot
Favored (%)	96.97	94.99	97.46	94.6	96.69
Allowed (%)	3.03	4.72	2.54	5.4	3.31
Disallowed (%)	0	0.29	0	0	0

^a Values in parentheses are for highest-resolution shell.