Experiment: 2MNZ

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.8-2 mM [U-99% 13C; U-99% 15N] entity_1-1	90% H2O/10% D2O	0.1	7.4	ambient	293
2	2D 1H-13C HSQC	0.8-2 mM [U-99% 13C; U-99% 15N] entity_1-1	90% H2O/10% D2O	0.1	7.4	ambient	293
3	2D 1H-13C HSQC aliphatic	0.8-2 mM [U-99% 13C; U-99% 15N] entity_1-1	90% H2O/10% D2O	0.1	7.4	ambient	293
4	2D 1H-13C HSQC aromatic	0.8-2 mM [U-99% 13C; U-99% 15N] entity_1-1	90% H2O/10% D2O	0.1	7.4	ambient	293
5	3D HNCO	0.8-2 mM [U-99% 13C; U-99% 15N] entity_1-1	90% H2O/10% D2O	0.1	7.4	ambient	293
6	3D HNCA	0.8-2 mM [U-99% 13C; U-99% 15N] entity_1-1	90% H2O/10% D2O	0.1	7.4	ambient	293
7	3D HNCACB	0.8-2 mM [U-99% 13C; U-99% 15N] entity_1-1	90% H2O/10% D2O	0.1	7.4	ambient	293
8	3D 1H-15N NOESY	0.8-2 mM [U-99% 13C; U-99% 15N] entity_1-1	90% H2O/10% D2O	0.1	7.4	ambient	293
9	3D 1H-13C NOESY aliphatic	0.8-2 mM [U-99% 13C; U-99% 15N] entity_1-1	90% H2O/10% D2O	0.1	7.4	ambient	293
10	3D 1H-13C NOESY aromatic	0.8-2 mM [U-99% 13C; U-99% 15N] entity_1-1	90% H2O/10% D2O	0.1	7.4	ambient	293

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

NMR Refinement
Method	Details	Software
simulated annealing		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS		Brunger A. T. et.al.

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.