1KJK

Solution structure of the lambda integrase amino-terminal domain

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1mM integrase U-15N,13C; 20mM PO4 (pH 6.0), 100mM NaCl, 10mM DTT, 0.01% NaN3	90% H2O/10% D2O	100mM NaCl	6.0	1 atm	290
2	3D_15N-separated_NOESY	1mM integrase U-15N,13C; 20mM PO4 (pH 6.0), 100mM NaCl, 10mM DTT, 0.01% NaN3	90% H2O/10% D2O	100mM NaCl	6.0	1 atm	290
3	quantitative J correlation	1mM integrase U-15N,13C; 20mM PO4 (pH 6.0), 100mM NaCl, 10mM DTT, 0.01% NaN3	90% H2O/10% D2O	100mM NaCl	6.0	1 atm	290

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500
2	Bruker	DRX	600

NMR Refinement
Method	Details	Software
distance geometry, simulated annealing		NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	25
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	NMRPipe	sgi6x	Delaglio
2	data analysis	PIPP/CAPP/STAPP	4.1.2	Garrett
3	refinement	X-PLOR	3.851	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.