Table 1.

NMR and refinement statistics for the gluR-B R/G upper stem-loop (USL) RNA bound to ADAR2 dsRBM1, the free gluR-B R/G lower stem-loop RNA (LSL) and its complex with ADAR2 dsRBM2, and the RDC-reconstructed complex of the full-length gluR-B R/G stem-loop (SL) RNA bound to ADAR2 dsRBM12.

	USL RNA – dsRBM1 complex		LSL RNA	LSL – dsRBM2 complex		SL RNA – dsRBM12 complex
	USL RNA	dsRBM1		LSL RNA	dsRBM2	SL RNA	dsRBM12
NMR distance & dihedral constraints & RDCs
Distance restraints
Total NOE	645	927	781	702	1054	1252	1981
Intra-residue	309	201	389	365	216	620	417
Inter-residue	336	726	392	337	838	631	1564
Sequential (|i–j| = 1)	270	252	352	306	241	555	493
Non-sequential (|i–j| > 1 )	66	474	40	31	597	76	1071
Hydrogen bonds	35	64	81a	75	62	132	126
Protein–RNA intermolecular		36		36		72
Total dihedral angle restraints	180		252	267
RNA
Sugar pucker	34		84	84
Backboneb	146		168	183
RDC restraints							45d
Structure statisticsc
Violations (mean and s.d.)
Number of distance restraint violations > 0.2 Å	8.45 ± 2.50		0	1.10 ± 1.25		14.31 ± 3.86
Number of dihedral angle restraint violations > 5°	0.7 ± 0.47		0	0		5.30 ± 3.32
Max. dihedral angle restraint violation (°)	5.82 ± 1.22		3.28 ± 0.77	2.69 ± 1.12		15.51 ± 2.36
Max. distance constraint violation (Å)	0.29 ± 0.03		0.16 ± 0.01	0.23 ± 0.06		0.32 ± 0.05
Deviations from idealized geometryd
Bond lengths (Å)	0.0042 ± 0.00007		0.0046 ± 0.00005	0.0041 ± 0.00005		0.0048 ± 0.00005
Bond angles (°)	1.989 ± 0.011		2.137 ± 0.017	1.903 ± 0.011		1.995 ± 0.008
RDCs violations
Absolute RDC violations (Hz)						1.12 ± 0.82
Average pairwise r.m.s.d (Å)c
Protein (79–142) for dsRBM1; (221–282) for dsRBM2
Heavy atoms		1.11 ± 0.17		1.01 ± 0.12		1.60 ± 0.36
Backbone atoms		0.59 ± 0.14		0.37 ± 0.08		1.22 ± 0.42
RNA
All RNA heavy atoms		0.60 ± 0.16	1.15 ± 0.35	1.48 ± 0.51		1.30 ± 0.40
Complex
All complex heavy atoms		1.01 ± 0.15		1.49 ± 0.39		1.75 ± 0.31

^aIn the final structure calculations of the free RNA, H-bond restraints were applied in the two A–C mismatches. This is based on initial structures and on the protonation state of A8/A18. For the structures of the RNA in complex no H-bond restraints for the two A–C mismatches have been applied.

^bBased on A-form geometry derived from high-resolution crystal structures: α(270°–330°), β(150°–210°), γ(30°–90°), δ(50°–110°), ε(180°–240°), and ζ(260°–320°). These restraints were used only for the double-helical region. No angle restraints were imposed on the two A–C mismatches and the loops.

^cCalculated for an ensemble of the 20 lowest energy structures.

^d16 RDCs of dsRBM1 and 29 RDCs of dsRBM2.