Experiment: 2KEM

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.3 mM [U-100% 15N] apobec3g-1	90% H2O/10% D2O	0	7.0	ambient	298
2	3D HNCA	0.3 mM [U-13C; U-15N; U-2H] apobec3g-2	90% H2O/10% D2O	0	7.0	ambient	298
3	3D HNCACB	0.3 mM [U-13C; U-15N; U-2H] apobec3g-2	90% H2O/10% D2O	0	7.0	ambient	298
4	3D 1H-15N NOESY	0.3 mM [U-15N; U-50% 2H] apobec3g-3	90% H2O/10% D2O	0	7.0	ambient	298
5	3D 1H-15N NOESY	0.3 mM [U-100% 15N] apobec3g-1	90% H2O/10% D2O	0	7.0	ambient	298
6	3D 1H-13C NOESY	0.3 mM [U-100% 13C] apobec3g-4	100% D2O	0	7.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	700
2	Varian	INOVA	800
3	Bruker	AVANCE	800
4	Bruker	AVANCE	900
5	Varian	INOVA	600

NMR Refinement
Method	Details	Software
simulated annealing	cns	CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	10
Representative Model	1 (lowest energy)

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

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 R01GM157729.