Experiment: 2K92

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1.5 mM [U-13C; U-15N] apoacp	90% H2O/10% D2O	40	6.5		300
2	3D HNCACB	1.5 mM [U-13C; U-15N] apoacp	90% H2O/10% D2O	40	6.5		300
3	3D CBCA(CO)NH	1.5 mM [U-13C; U-15N] apoacp	90% H2O/10% D2O	40	6.5		300
4	3D 1H-15N TOCSY	1.5 mM [U-13C; U-15N] apoacp	90% H2O/10% D2O	40	6.5		300
5	3D HCCH-TOCSY	1.5 mM [U-13C; U-15N] apoacp	90% H2O/10% D2O	40	6.5		300
6	3D 1H-15N NOESY	1.5 mM [U-13C; U-15N] apoacp	90% H2O/10% D2O	40	6.5		300
7	3D 1H-13C NOESY	1.5 mM [U-13C; U-15N] apoacp	90% H2O/10% D2O	40	6.5		300
8	2D 1H-13C HSQC	1.5 mM [U-13C; U-15N] apoacp	90% H2O/10% D2O	40	6.5		300

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

NMR Refinement
Method	Details	Software
torsion angle dynamics		DYANA

NMR Ensemble Information
Conformer Selection Criteria	20
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	DYANA		Guentert, P.

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.