Experiment: 1RQT

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	1mM L7 dimer U-15N; 50mM phosphate buffer; 90% H2O, 10% D2O; 30 C	90% H2O/10% D2O	0.15	6.9	ambient	303
2	2D NOESY	1mM L7 dimer U-15N; 50mM phosphate buffer; 99.9% D2O; 30 C	99.9% D2O	0.15	6.9	ambient	303
3	3D_15N-HNHB	1mM L7 dimer U-15N; 50mM phosphate buffer; 90% H2O, 10% D2O; 30 C	90% H2O/10% D2O	0.15	6.9	ambient	303
4	15N-HMQCJ	1mM L7 dimer U-15N; 50mM phosphate buffer; 90% H2O, 10% D2O; 30 C	90% H2O/10% D2O	0.15	6.9	ambient	303

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

NMR Refinement
Method	Details	Software
simulated annealing combined with molecular dynamics in torsion angle space		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations,target function
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	12 (lowest energy)

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	CYANA	6.3b	VARIAN USA
2	data analysis	XEASY	1.2.11	Bartels, C.
3	structure solution	CYANA	1.01	Guntert, P.
4	refinement	FANTOM	4	Schaumann, T

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.