Experiment: 2LJP

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.8 mM [U-95% 13C; U-95% 15N] E.coli Ribonuclease P protein-1	90% H2O/10% D2O	0.2	7.2	ambient	293
2	2D 1H-13C HSQC	0.8 mM [U-95% 13C; U-95% 15N] E.coli Ribonuclease P protein-1	90% H2O/10% D2O	0.2	7.2	ambient	293
3	3D CBCA(CO)NH	0.8 mM [U-95% 13C; U-95% 15N] E.coli Ribonuclease P protein-1	90% H2O/10% D2O	0.2	7.2	ambient	293
4	3D C(CO)NH	0.8 mM [U-95% 13C; U-95% 15N] E.coli Ribonuclease P protein-1	90% H2O/10% D2O	0.2	7.2	ambient	293
5	3D HNCO	0.8 mM [U-95% 13C; U-95% 15N] E.coli Ribonuclease P protein-1	90% H2O/10% D2O	0.2	7.2	ambient	293
6	3D HNCACB	0.8 mM [U-95% 13C; U-95% 15N] E.coli Ribonuclease P protein-1	90% H2O/10% D2O	0.2	7.2	ambient	293
7	3D HBHA(CO)NH	0.8 mM [U-95% 13C; U-95% 15N] E.coli Ribonuclease P protein-1	90% H2O/10% D2O	0.2	7.2	ambient	293
8	3D HCCH-TOCSY	0.8 mM [U-95% 13C; U-95% 15N] E.coli Ribonuclease P protein-1	90% H2O/10% D2O	0.2	7.2	ambient	293
9	3D HCCH-COSY	0.8 mM [U-95% 13C; U-95% 15N] E.coli Ribonuclease P protein-1	90% H2O/10% D2O	0.2	7.2	ambient	293
10	3D 1H-13C NOESY aliphatic	0.8 mM [U-95% 13C; U-95% 15N] E.coli Ribonuclease P protein-1	90% H2O/10% D2O	0.2	7.2	ambient	293
11	3D 1H-15N NOESY	0.8 mM [U-95% 13C; U-95% 15N] E.coli Ribonuclease P protein-1	90% H2O/10% D2O	0.2	7.2	ambient	293

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

NMR Refinement
Method	Details	Software
simulated annealing		CYANA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CYANA	2.1	Guntert, Mumenthaler and Wuthrich
2	data analysis	Sparky		Goddard
3	refinement	CNS	1.21
4	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer 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.