Experiment: 5LMY

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-99% 13C; U-99% 15N] Matrix protein p10, 100 mM potassium phosphate, 300 mM sodium chloride, 5 mM DTT	95% H2O/5% D2O	600 mM	6	1 atm	298	Bruker AvanceIII 600
2	2D 1H-13C HSQC	1.2 mM [U-99% 13C; U-99% 15N] Matrix protein p10, 100 mM potassium phosphate, 300 mM sodium chloride, 5 mM DTT	95% H2O/5% D2O	600 mM	6	1 atm	298	Bruker AvanceIII 600
3	3D CBCA(CO)NH	1.2 mM [U-99% 13C; U-99% 15N] Matrix protein p10, 100 mM potassium phosphate, 300 mM sodium chloride, 5 mM DTT	95% H2O/5% D2O	600 mM	6	1 atm	298	Bruker AvanceIII 600
4	3D HNCACB	1.2 mM [U-99% 13C; U-99% 15N] Matrix protein p10, 100 mM potassium phosphate, 300 mM sodium chloride, 5 mM DTT	95% H2O/5% D2O	600 mM	6	1 atm	298	Bruker AvanceIII 600
5	3D HBHA(CO)NH	1.2 mM [U-99% 13C; U-99% 15N] Matrix protein p10, 100 mM potassium phosphate, 300 mM sodium chloride, 5 mM DTT	95% H2O/5% D2O	600 mM	6	1 atm	298	Bruker AvanceIII 600
6	3D HNCO	1.2 mM [U-99% 13C; U-99% 15N] Matrix protein p10, 100 mM potassium phosphate, 300 mM sodium chloride, 5 mM DTT	95% H2O/5% D2O	600 mM	6	1 atm	298	Bruker AvanceIII 600
7	3D HN(CO)CA	1.2 mM [U-99% 13C; U-99% 15N] Matrix protein p10, 100 mM potassium phosphate, 300 mM sodium chloride, 5 mM DTT	95% H2O/5% D2O	600 mM	6	1 atm	298	Bruker AvanceIII 600
8	3D HCCH-TOCSY	1.2 mM [U-99% 13C; U-99% 15N] Matrix protein p10, 100 mM potassium phosphate, 300 mM sodium chloride, 5 mM DTT	95% H2O/5% D2O	600 mM	6	1 atm	298	Bruker AvanceIII 600
9	3D 1H-15N NOESY	1.2 mM [U-99% 13C; U-99% 15N] Matrix protein p10, 100 mM potassium phosphate, 300 mM sodium chloride, 5 mM DTT	95% H2O/5% D2O	600 mM	6	1 atm	298	Bruker AvanceIII 600
10	3D 1H-13C NOESY	1.2 mM [U-99% 13C; U-99% 15N] Matrix protein p10, 100 mM potassium phosphate, 300 mM sodium chloride, 5 mM DTT	95% H2O/5% D2O	600 mM	6	1 atm	298	Bruker AvanceIII 600
11	2D 1H-15N HSQC IPAP	0.2 mM [U-99% 15N] Matrix protein p10, 50 mM potassium phosphate, 150 mM sodium chloride, 5 mM DTT, 10 mg/mL Pf1 phage	95% H2O/5% D2O	300 mM	6	1 atm	298	Bruker AvanceIII 600

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AvanceIII	600

NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number	15

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	TopSpin	3.5	Bruker Biospin
2	structure calculation	Xplor-NIH	2.24	Schwieters, Kuszewski, Tjandra and Clore
3	chemical shift assignment	CcpNmr Analysis	2.1.5	CCPN
4	geometry optimization	TALOS+		Cornilescu, Delaglio and Bax

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.