Experiment: 5XQ5

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 1H-15N NOESY	700 uM [U-99% 13C; U-99% 15N] Domain 5 of the E. coli ribosomal protein S1, 10 mM sodium phosphate	90% H2O/10% D2O	10 mM	6.6	1 Pa	298	Bruker AVANCE 800
2	3D 1H-15N TOCSY	700 uM [U-99% 13C; U-99% 15N] Domain 5 of the E. coli ribosomal protein S1, 10 mM sodium phosphate	90% H2O/10% D2O	10 mM	6.6	1 Pa	298	Bruker AVANCE 800
3	3D HNCACB	700 uM [U-99% 13C; U-99% 15N] Domain 5 of the E. coli ribosomal protein S1, 10 mM sodium phosphate	90% H2O/10% D2O	10 mM	6.6	1 Pa	298	Bruker AVANCE 800
4	3D CBCA(CO)NH	700 uM [U-99% 13C; U-99% 15N] Domain 5 of the E. coli ribosomal protein S1, 10 mM sodium phosphate	90% H2O/10% D2O	10 mM	6.6	1 Pa	298	Bruker AVANCE 800
5	2D 1H-15N HSQC	700 uM [U-99% 13C; U-99% 15N] Domain 5 of the E. coli ribosomal protein S1, 10 mM sodium phosphate	90% H2O/10% D2O	10 mM	6.6	1 Pa	298	Bruker AVANCE 800

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
molecular dynamics		Amber

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	50
Conformers Submitted Total Number	5
Representative Model	1 (target function)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	chemical shift assignment	CcpNMR	2.4.1	CCPN
2	structure calculation	CYANA	2.1	Guntert, Mumenthaler and Wuthrich
3	refinement	Amber		Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman

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.