2GZK

Structure of a complex of tandem HMG boxes and DNA

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D HSQC	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
2	3D HN(CO)CA	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
3	HNCA-J	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
4	3D CBCA(CO)NH	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
5	3D HNCACB	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
6	3D HNCO	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
7	3D (H)CC(CO)NH-TOCSY	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
8	3D TOCSY-15N-HSQC	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
9	3D NOESY-15N-HSQC	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
10	3D HCCH-TOCSY	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
11	3D NOESY-13C-HSQC	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
12	HNHA	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
13	2D TOCSY	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
14	DQF-COSY	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
15	2D NOESY	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
16	[F1]-13C/15N-filtered TOCSY [F1]-13C/15N-filtered TOCSY	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
17	2D [F1]-13C/15N-filtered DQF COSY	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
18	2D [F1]-13C/15N-filtered NOESY	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
19	3D [F1]-13C/15N-filtered NOESY-13C-HSQC	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310
20	2D [F1,F2]-13C/15N-filtered NOESY	1mM SRY.B U-15N,13C, 1mM 16-mer DNA, 10mM phosphate buffer, pH 6.8, 1mM EDTA, 2mM DTT U-2H, 90% H2O, 10% D2O	90% H2O/10% D2O	10mM phosphate buffer	6.8	ambient	310

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500
2	Bruker	DRX	800

NMR Refinement
Method	Details	Software
torsion angle dynamics		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	1
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	1.7	Bruker
2	processing	Azara	2.7	Boucher, W.
3	data analysis	Analysis	1.0	Boucher, W. and Stevens, T.
4	structure solution	CNS	1.1	Brunger, A.
5	refinement	CNS	1.1	Brunger, A.

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.

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2GZK

Structure of a complex of tandem HMG boxes and DNA