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. Author manuscript; available in PMC: 2019 Nov 18.
Published in final edited form as: Nature. 2019 Mar 6;567(7748):389–393. doi: 10.1038/s41586-019-0998-5

Extended Data Table 1 |.

Crystal-packing analyses of crystal structures of the human STING LBD in the ligand-bound, lid-closed conformation

PDB ID Ligand Side-by-side packing Lid Space group Crystallization condition
4F5D c-di-GMP Yes closed P41 0.025 M MgSO4, 0.0 5M Tris-HCl pH 8.5, 1.8M (NH4)2SO4
4KSY 2’,3’-cGAMP Yes closed C2 27% PEG 3,350, 0.1 M Bis-Tris, pH 6.8, 0.2 M NaCl
5BQX 3’,2’-cGAMP Yes closed P41212 0.2 M ammonium acetate, 0.1 M trisodium citrate, pH 5.8, 25% PEG4000
4LOH 2’,3’-cGAMP Yes Closed P1 0.01 M NiCl2, 0.1 M Tris, 20% PEG2000, pH 8.5
4LOI 2’,2’-cGAMP Yes Closed P1 1.6 M NaH2PO4, 0.4 M Na2HPO4, 0.1 M phosphate-citrate, pH 4.2
4QXP DMXAA Yes Closed P21 0.2 M Li2SO4, 20% PEG 3350, 0.015 mM CYMAL-7, 0.1 M Tris, pH 8.1
4QXQ DMXAA Yes Closed P6 0.2 M Ca(Ac)2, 15% PEG3000, 0.01 M L-Proline, 0.1 M NaAc, pH 5.1
4QXR DMXAA Yes Closed P6 0.2 M Ca(Ac)2, 15% PEG3000, 0.1 M LiCl, 0.1 M NaAc, pH 5.1
4QXO DMXAA No Closed P6122 2 M LiCl, 10% PEG6000, 0.01 M CaCl2, 0.1 M Tris, pH 7.8

All of these structures (except one) contain the side-by-side packing interaction that mediates the formation of the tetramer and higher-order oligomers.

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