1KQQ

Solution Structure of the Dead ringer ARID-DNA Complex

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	2.0mM Dead ringer-DNA complex (protein U-13C,15N, DNA NA) 20mM Tris U-2H, 0.01% NaN3 NA, 0.5mM EDTA NA, 5mM DTT U-2H	93% H2O/7% D2O	0	6.7	ambient	310
2	3D_15N-separated_NOESY	2.0mM Dead ringer-DNA complex (protein U-13C,15N, DNA NA) 20mM Tris U-2H, 0.01% NaN3 NA, 0.5mM EDTA NA, 5mM DTT U-2H	93% H2O/7% D2O	0	6.7	ambient	310
3	HNHA	2.0mM Dead ringer-DNA complex (protein U-13C,15N, DNA NA) 20mM Tris U-2H, 0.01% NaN3 NA, 0.5mM EDTA NA, 5mM DTT U-2H	93% H2O/7% D2O	0	6.7	ambient	310
4	3D_13C-separated_NOESY	1.4mM Dead ringer-DNA complex (protein U-13C,15N, DNA NA) 20mM Tris U-2H, 0.01% NaN3 NA, 0.5mM EDTA NA, 5mM DTT U-2H	100% D2O	0	6.7	ambient	310
5	2D_F1F2_13C-filtered_NOESY	1.4mM Dead ringer-DNA complex (protein U-13C,15N, DNA NA) 20mM Tris U-2H, 0.01% NaN3 NA, 0.5mM EDTA NA, 5mM DTT U-2H	100% D2O	0	6.7	ambient	310
6	3D_F1_13C15N-filtered_F2_13C-edited_NOESY	2.0mM Dead ringer-DNA complex (protein U-13C,15N, DNA NA) 20mM Tris U-2H, 0.01% NaN3 NA, 0.5mM EDTA NA, 5mM DTT U-2H	93% H2O/7% D2O	0	6.7	ambient	310
7	3D_F1_13C15N-filtered_F2_15N-edited_NOESY	2.0mM Dead ringer-DNA complex (protein U-13C,15N, DNA NA) 20mM Tris U-2H, 0.01% NaN3 NA, 0.5mM EDTA NA, 5mM DTT U-2H	93% H2O/7% D2O	0	6.7	ambient	310
8	2D_F2_13C-filtered_NOESY	1.4mM Dead ringer-DNA complex (protein U-13C,15N, DNA NA) 20mM Tris U-2H, 0.01% NaN3 NA, 0.5mM EDTA NA, 5mM DTT U-2H	100% D2O	0	6.7	ambient	310
9	2D_F1_13C-filtered_JUNSY	1.4mM Dead ringer-DNA complex (protein U-13C,15N, DNA NA) 20mM Tris U-2H, 0.01% NaN3 NA, 0.5mM EDTA NA, 5mM DTT U-2H	100% D2O	0	6.7	ambient	310
10	3D HNHB	2.0mM Dead ringer-DNA complex (protein U-13C,15N, DNA NA) 20mM Tris U-2H, 0.01% NaN3 NA, 0.5mM EDTA NA, 5mM DTT U-2H	93% H2O/7% D2O	0	6.7	ambient	310

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500
2	Bruker	DRX	600
3	Varian	UNITYPLUS	750

NMR Refinement
Method	Details	Software
simulated annealing	The structures are based on a total of 3402 restraints	XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Additional NMR Experimental Information
Details	The structure was determined using triple-resonance NMR methods along with various isotope-filtered techniques. Residues 1-2 and 134-139 are disordered in solution.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.6	Bruker
2	processing	NMRPipe	2.0	Delaglio
3	data analysis	NMRView	4.3	Johnson
4	structure solution	X-PLOR	3.851	Brunger
5	refinement	X-PLOR	3.851	Brunger

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.