1KLP | pdb_00001klp

The Solution Structure of Acyl Carrier Protein from Mycobacterium tuberculosis

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	HNCACB	2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN3	90% H2O/10% D2O	0.1	6.5	ambient	300
2	CBCA(CO)NH	2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN3	90% H2O/10% D2O	0.1	6.5	ambient	300
3	HNCO	2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN3	90% H2O/10% D2O	0.1	6.5	ambient	300
4	HNHA	2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN3	90% H2O/10% D2O	0.1	6.5	ambient	300
5	HCCH-TOCSY	2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN3	90% H2O/10% D2O	0.1	6.5	ambient	300
6	13C-HSQC-NOESY	2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN3	90% H2O/10% D2O	0.1	6.5	ambient	300

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

NMR Refinement
Method	Details	Software
torsion angle dynamics simulated annealing		DYANA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	320
Conformers Submitted Total Number	20
Representative Model	1 (lowest target function)

Additional NMR Experimental Information
Details	The structure was determined using triple-resonance NMR spectroscopy.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	DYANA	1.5	Guntert, P.
2	processing	NMRPipe		Delaglio, F.
3	data analysis	XEASY	1.3.13	Xia, T.-H.

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.