1S79

Solution structure of the central RRM of human La protein

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	0.4 mM RRM U-15N,13C; 20mM phosphate buffer, 100mM KCl, 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM KCl	6	ambient	293
2	3D_13C-separated_NOESY	0.4 mM RRM U-15N,13C; 20mM phosphate buffer, 100mM KCl, 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM KCl	6	ambient	293
3	HNCA	0.4 mM RRM U-15N,13C; 20mM phosphate buffer, 100mM KCl, 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM KCl	6	ambient	293
4	HNCOCA	0.4 mM RRM U-15N,13C; 20mM phosphate buffer, 100mM KCl, 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM KCl	6	ambient	293
5	CBCACONH	0.4 mM RRM U-15N,13C; 20mM phosphate buffer, 100mM KCl, 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM KCl	6	ambient	293
6	HNCACB	0.4 mM RRM U-15N,13C; 20mM phosphate buffer, 100mM KCl, 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM KCl	6	ambient	293

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Varian	INOVA	800

NMR Refinement
Method	Details	Software
torsion angle dynamics		X-PLOR

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	X-PLOR	3.1	Brunger
2	processing	NMRPipe	1	Delaglio
3	collection	VNMR	1c	Varian
4	data analysis	XEASY	6600	wuthrich
5	data analysis	MOLMOL	2.6	wuthich
6	data analysis	TALOS	1999.019.15.47	Bax
7	refinement	X-PLOR	3.1	Brunger

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.