Experiment: 2KZS

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
2	3D HNCACB	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
3	2D 1H-13C HSQC	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
4	3D CBCA(CO)NH	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
5	3D HBHA(CO)NH	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
6	3D HCCH-TOCSY	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
7	3D 1H-15N NOESY	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
8	3D 1H-15N TOCSY	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
9	3D 1H-13C NOESY	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
10	3D H(CC)(CO)NH-TOCSY	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
11	2D (HB)CB(CGCD)HD	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
12	2D (HB)CBCGCDCE)HE	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
13	2D HMBC	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
14	2D 1H-13C HSQC	0.8 mM [U-10% 13C] DAXX-5	95% H2O/5% D2O	0.16	6.5	ambient	298
15	CT methyl-methyl-HSQC	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298
16	CT amide-methyl-HSQC	1.2 mM [U-100% 13C; U-100% 15N] DAXX-1, 10 mM potassium phosphate-2, 100 mM KCl-3, 0.1 mM EDTA-4	95% H2O/5% D2O	0.16	6.5	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Varian	UNITY	500

NMR Refinement
Method	Details	Software
simulated annealing		ARIA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	120
Conformers Submitted Total Number	25
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	ARIA	2.2	Linge, O'Donoghue and Nilges
2	semi-automatic peak assignment	ARIA	2.2	Linge, O'Donoghue and Nilges
3	refinement	ARIA	2.2	Linge, O'Donoghue and Nilges

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.