Experiment: 5W0Y

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	800 uM [U-13C; U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride	90% H2O/10% D2O	70 mM	6.5	1 atm	298.15	Varian INOVA 600
2	3D HNCO	800 uM [U-13C; U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride	90% H2O/10% D2O	70 mM	6.5	1 atm	298.15	Varian INOVA 600
3	3D HNCACB	800 uM [U-13C; U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride	90% H2O/10% D2O	70 mM	6.5	1 atm	298.15	Varian INOVA 600
4	3D HN(CA)CO	800 uM [U-13C; U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride	90% H2O/10% D2O	70 mM	6.5	1 atm	298.15	Varian INOVA 600
5	3D CBCA(CO)NH	800 uM [U-13C; U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride	90% H2O/10% D2O	70 mM	6.5	1 atm	298.15	Varian INOVA 600
6	3D HCCH-TOCSY	800 uM [U-13C; U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride	90% H2O/10% D2O	70 mM	6.5	1 atm	298.15	Varian INOVA 600
7	3D HCCH-COSY	800 uM [U-13C; U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride	90% H2O/10% D2O	70 mM	6.5	1 atm	298.15	Varian INOVA 600
8	2D 1H-13C HSQC	800 uM [U-13C; U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride	90% H2O/10% D2O	70 mM	6.5	1 atm	298.15	Varian INOVA 600
9	3D 1H-13C NOESY	800 uM [U-13C; U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride	90% H2O/10% D2O	70 mM	6.5	1 atm	298.15	Varian INOVA 600
10	3D 1H-15N NOESY	800 uM [U-13C; U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride	90% H2O/10% D2O	70 mM	6.5	1 atm	298.15	Varian INOVA 600
11	2D 1H-15N HSQC	100 uM [U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride	100% D2O	70 mM	6.5	1 atm	298.15	Bruker AVANCE III 700

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Bruker	AVANCE III	700

NMR Refinement
Method	Details	Software
torsion angle dynamics		ARIA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	2.4.2	Varian
5	refinement	ARIA	2.3.1	Linge, O'Donoghue and Nilges
2	processing	NMRDraw		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3	chemical shift assignment	Analysis		CCPN
4	data analysis	Analysis		CCPN
6	structure calculation	ARIA	2.3.1	Linge, O'Donoghue and Nilges

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.