Experiment: 2LZR

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D HNCA	0.5 mM [U-100% 13C; U-100% 15N] Protein, 240 mM DPC	95% H2O/5% D2O	0.05	7.0	ambient	303
2	3D HNCO	0.5 mM [U-100% 13C; U-100% 15N] Protein, 240 mM DPC	95% H2O/5% D2O	0.05	7.0	ambient	303
3	3D 1H-15N NOESY	0.5 mM [U-100% 15N] Protein, 240 mM DPC	95% H2O/5% D2O	0.05	7.0	ambient	303
4	3D 1H-15N TOCSY	0.5 mM [U-100% 15N] Protein, 240 mM DPC	95% H2O/5% D2O	0.05	7.0	ambient	303
5	3D 1H-13C NOESY aliphatic	0.5 mM [U-100% 13C; U-100% 15N] Protein, 240 mM [U-100% 2H] DPC	95% H2O/5% D2O	0.05	7.0	ambient	303
6	3D 1H-13C NOESY aromatic	0.5 mM [U-100% 13C; U-100% 15N] Protein, 240 mM [U-100% 2H] DPC	95% H2O/5% D2O	0.05	7.0	ambient	303
7	3D HNCO	0.5 mM [U-100% 13C; U-100% 15N] Protein, 240 mM DPC	95% H2O/5% D2O	0.05	7.0	ambient	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Home-built	OMEGA	950
2	Home-built	OMEGA	600
3	Home-built	OMEGA	750
4	Bruker	AVII	500

NMR Refinement
Method	Details	Software
simulated annealing		X-PLOR NIH

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	10
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore
2	refinement	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore

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.