Experiment: 2MYV

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1 mM [U-15N] AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
2	2D 1H-15N HSQC	1 mM [U-13C; U-15N] AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
3	2D 1H-13C HSQC	1 mM [U-13C; U-15N] AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
4	3D HNCO	1 mM [U-13C; U-15N] AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
5	3D HNCA	1 mM [U-13C; U-15N] AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
6	3D HN(COCA)CB	1 mM [U-13C; U-15N] AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
7	3D 1H-15N NOESY	1 mM [U-13C; U-15N] AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
8	3D 1H-15N TOCSY	1 mM [U-13C; U-15N] AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
9	2D 1H-1H NOESY	1 mM AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
10	2D 1H-1H NOESY	1 mM AVR1-CO39	100% D2O	0.15	6.8	ambient	305
11	2D 1H-1H TOCSY	1 mM AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
12	2D DQF-COSY	1 mM AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
13	3D HNCACB	1 mM [U-13C; U-15N] AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305
14	3D HN(CO)CA	1 mM [U-13C; U-15N] AVR1-CO39	90% H2O/10% D2O	0.15	6.8	ambient	305

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	700
2	Bruker	AVANCE	500

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

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	TopSpin	2.1	Bruker Biospin
2	processing	TopSpin	2.1	Bruker Biospin
3	data analysis	CCPN		CCPN
4	peak picking	CCPN		CCPN
5	structure solution	CYANA	2.1	Guntert, Mumenthaler and Wuthrich
6	data analysis	TALOS+	1.2	Cornilescu, Delaglio and Bax
7	refinement	CNS	1.2	Brunger, Adams, Clore, Gros, Nilges and Read
8	refinement	CYANA	2.1	Guntert, Mumenthaler and Wuthrich

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.