Experiment: 2LOZ

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.6-0.8 mM [U-100% 13C; U-100% 15N] Tensin2-1, 1.2-1.4 mM DLC1-2, 100 mM potassium phosphate-3, 100 mM potassium chloride-4, 1 mM EDTA-5	90% H2O/10% D2O	0.2	7.0	ambient	298
2	2D 1H-15N HSQC	1.2-1.4 mM Tensin2-6, 0.6-0.8 mM [U-100% 13C; U-100% 15N] DLC1-7, 100 mM potassium phosphate-8, 100 mM potassium chloride-9, 1 mM EDTA-10	90% H2O/10% D2O	0.2	7.0	ambient	298
3	2D 1H-13C HSQC	0.6-0.8 mM [U-100% 13C; U-100% 15N] Tensin2-1, 1.2-1.4 mM DLC1-2, 100 mM potassium phosphate-3, 100 mM potassium chloride-4, 1 mM EDTA-5	90% H2O/10% D2O	0.2	7.0	ambient	298
4	2D 1H-13C HSQC	1.2-1.4 mM Tensin2-6, 0.6-0.8 mM [U-100% 13C; U-100% 15N] DLC1-7, 100 mM potassium phosphate-8, 100 mM potassium chloride-9, 1 mM EDTA-10	90% H2O/10% D2O	0.2	7.0	ambient	298
5	3D HNCO	0.6-0.8 mM [U-100% 13C; U-100% 15N] Tensin2-1, 1.2-1.4 mM DLC1-2, 100 mM potassium phosphate-3, 100 mM potassium chloride-4, 1 mM EDTA-5	90% H2O/10% D2O	0.2	7.0	ambient	298
6	3D HNCACB	0.6-0.8 mM [U-100% 13C; U-100% 15N] Tensin2-1, 1.2-1.4 mM DLC1-2, 100 mM potassium phosphate-3, 100 mM potassium chloride-4, 1 mM EDTA-5	90% H2O/10% D2O	0.2	7.0	ambient	298
7	3D CBCA(CO)NH	0.6-0.8 mM [U-100% 13C; U-100% 15N] Tensin2-1, 1.2-1.4 mM DLC1-2, 100 mM potassium phosphate-3, 100 mM potassium chloride-4, 1 mM EDTA-5	90% H2O/10% D2O	0.2	7.0	ambient	298
8	3D HCCH-TOCSY	0.6-0.8 mM [U-100% 13C] Tensin2-11, 1.2-1.4 mM DLC1-12, 100 mM potassium phosphate-13, 100 mM potassium chloride-14, 1 mM EDTA-15	100% D2O	0.2	7.0	ambient	298
9	3D 1H-15N NOESY	0.6-0.8 mM [U-100% 13C; U-100% 15N] Tensin2-1, 1.2-1.4 mM DLC1-2, 100 mM potassium phosphate-3, 100 mM potassium chloride-4, 1 mM EDTA-5	90% H2O/10% D2O	0.2	7.0	ambient	298
10	3D 1H-13C NOESY	0.6-0.8 mM [U-100% 13C] Tensin2-11, 1.2-1.4 mM DLC1-12, 100 mM potassium phosphate-13, 100 mM potassium chloride-14, 1 mM EDTA-15	100% D2O	0.2	7.0	ambient	298
11	3D HNCO	1.2-1.4 mM Tensin2-6, 0.6-0.8 mM [U-100% 13C; U-100% 15N] DLC1-7, 100 mM potassium phosphate-8, 100 mM potassium chloride-9, 1 mM EDTA-10	90% H2O/10% D2O	0.2	7.0	ambient	298
12	3D CBCA(CO)NH	1.2-1.4 mM Tensin2-6, 0.6-0.8 mM [U-100% 13C; U-100% 15N] DLC1-7, 100 mM potassium phosphate-8, 100 mM potassium chloride-9, 1 mM EDTA-10	90% H2O/10% D2O	0.2	7.0	ambient	298
13	3D HNCACB	1.2-1.4 mM Tensin2-6, 0.6-0.8 mM [U-100% 13C; U-100% 15N] DLC1-7, 100 mM potassium phosphate-8, 100 mM potassium chloride-9, 1 mM EDTA-10	90% H2O/10% D2O	0.2	7.0	ambient	298
14	3D 1H-15N NOESY	1.2-1.4 mM Tensin2-6, 0.6-0.8 mM [U-100% 13C; U-100% 15N] DLC1-7, 100 mM potassium phosphate-8, 100 mM potassium chloride-9, 1 mM EDTA-10	90% H2O/10% D2O	0.2	7.0	ambient	298
15	3D 1H-13C NOESY	1.2-1.4 mM Tensin2-16, 0.6-0.8 mM [U-100% 13C] DLC1-17, 100 mM potassium phosphate-18, 100 mM potassium chloride-19, 1 mM EDTA-20	100% D2O	0.2	7.0	ambient	298
16	3D HCCH-COSY	1.2-1.4 mM Tensin2-16, 0.6-0.8 mM [U-100% 13C] DLC1-17, 100 mM potassium phosphate-18, 100 mM potassium chloride-19, 1 mM EDTA-20	100% D2O	0.2	7.0	ambient	298
17	3D13C/15N FILTERED-13C EDITED NOESY	0.6-0.8 mM [U-100% 13C] Tensin2-11, 1.2-1.4 mM DLC1-12, 100 mM potassium phosphate-13, 100 mM potassium chloride-14, 1 mM EDTA-15	100% D2O	0.2	7.0	ambient	298
18	3D13C/15N FILTERED-13C EDITED NOESY	1.2-1.4 mM Tensin2-16, 0.6-0.8 mM [U-100% 13C] DLC1-17, 100 mM potassium phosphate-18, 100 mM potassium chloride-19, 1 mM EDTA-20	100% D2O	0.2	7.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	500
2	Varian	INOVA	750
3	Varian	INOVA	800

NMR Refinement
Method	Details	Software
torsion angle dynamics, molecular dynamics		VnmrJ

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	200
Conformers Submitted Total Number	10
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VnmrJ		Varian
2	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3	peak picking	Sparky		Goddard
4	chemical shift assignment	Sparky		Goddard
5	data analysis	Sparky		Goddard
6	data analysis	CYANA		Guntert, Mumenthaler and Wuthrich
7	structure solution	CYANA		Guntert, Mumenthaler and Wuthrich
8	data analysis	ProcheckNMR		Laskowski and MacArthur
9	geometry optimization	ProcheckNMR		Laskowski and MacArthur
10	refinement	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
11	geometry optimization	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
12	refinement	HADDOCK		Alexandre Bonvin

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.