1JW2

SOLUTION STRUCTURE OF HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha FROM ESCHERICHIA COLI. Ontario Centre for Structural Proteomics target EC0308_1_72; Northeast Structural Genomics Target ET88

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	2mM Hha U-15N, 13C;	150 mM NACL, 25 mM PHOSPHATE, 10% D2O, PH 6.5	150 mM NACL	6.5	1 atm	298
2	3D_15N-separated_NOESY	2mM Hha U-15N, 13C;	150 mM NACL, 25 mM PHOSPHATE, 10% D2O, PH 6.5	150 mM NACL	6.5	1 atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Varian	INOVA	500

NMR Refinement
Method	Details	Software
distance geometry simulated annealing	the structures are based on a total of 1116 restraints, 968 are NOE-derived distance constraints, 96 dihedral angle restraints,52 distance restraints from hydrogen bonds.	NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	30
Conformers Submitted Total Number	10
Representative Model	7 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	NMRPipe	2000.02.14	Delagio
2	data analysis	Sparky	3.95	Goddard
3	structure solution	CNS	1.0	Brunger
4	refinement	CNS	1.0	Brunger

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.