Experiment: 2MQH

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D CBCA(CO)NH	267 uM [U-100% 13C; U-100% 15N] NAB1 cold shock domain, 20 mM sodium phosphate, 300 mM sodium chloride	95% H2O/5% D2O	0.3	7	ambient atm	298
2	3D HNCACB	267 uM [U-100% 13C; U-100% 15N] NAB1 cold shock domain, 20 mM sodium phosphate, 300 mM sodium chloride	95% H2O/5% D2O	0.3	7	ambient atm	298
3	3D HNCO	267 uM [U-100% 13C; U-100% 15N] NAB1 cold shock domain, 20 mM sodium phosphate, 300 mM sodium chloride	95% H2O/5% D2O	0.3	7	ambient atm	298
4	3D 1H-15N NOESY	267 uM [U-100% 13C; U-100% 15N] NAB1 cold shock domain, 20 mM sodium phosphate, 300 mM sodium chloride	95% H2O/5% D2O	0.3	7	ambient atm	298
5	3D 1H-13C NOESY aliphatic	267 uM [U-100% 13C; U-100% 15N] NAB1 cold shock domain, 20 mM sodium phosphate, 300 mM sodium chloride	95% H2O/5% D2O	0.3	7	ambient atm	298
6	2D 1H-15N HSQC	267 uM [U-100% 13C; U-100% 15N] NAB1 cold shock domain, 20 mM sodium phosphate, 300 mM sodium chloride	95% H2O/5% D2O	0.3	7	ambient atm	298
7	3D HCCH-TOCSY	267 uM [U-100% 13C; U-100% 15N] NAB1 cold shock domain, 20 mM sodium phosphate, 300 mM sodium chloride	95% H2O/5% D2O	0.3	7	ambient atm	303
8	3D 1H-13C NOESY aromatic	267 uM [U-100% 13C; U-100% 15N] NAB1 cold shock domain, 20 mM sodium phosphate, 300 mM sodium chloride	95% H2O/5% D2O	0.3	7	ambient atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	900

NMR Refinement
Method	Details	Software
torsion angle dynamics	Automated noe assignment	CcpNmr

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Additional NMR Experimental Information
Details	All non NOE 3D experiments acquired using NUS and processed using MaxEnt.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	data analysis	CcpNmr	2.4.0	CCPN
2	chemical shift assignment	CcpNmr	2.4.0	CCPN
3	peak picking	CcpNmr	2.4.0	CCPN
4	refinement	CYANA	3.0	Guntert, Mumenthaler and Wuthrich
5	structure solution	CYANA	3.0	Guntert, Mumenthaler and Wuthrich
6	collection	TopSpin	3.1	Bruker Biospin
7	processing	Rowland_NMR_Toolkit	3	A. Stern, J. C. Hoch

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.