2IXZ

Solution structure of the apical stem-loop of the human hepatitis B virus encapsidation signal

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	NOESY	D2O AND 10% D2O/90% H2O		100	7.0	1.0 atm	298.0
2	COSY	D2O AND 10% D2O/90% H2O		100	7.0	1.0 atm	298.0
3	TOCSY	D2O AND 10% D2O/90% H2O		100	7.0	1.0 atm	298.0
4	HSQC	D2O AND 10% D2O/90% H2O		100	7.0	1.0 atm	298.0

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

NMR Refinement
Method	Details	Software
simulated annealing	REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. THIS STRUCTURE REPRESENTS THE PSEUDO TRILOOP OF THE APICAL STEM-LOOP FROM HEPATITIS B VIRUS EPSILON. RESTRAINTS WERE DERIVED FROM 27 NT SAMPLE OF THE WHOLE APICAL STEM-LOOP.	Amber

NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number	200
Conformers Submitted Total Number	12

Additional NMR Experimental Information
Details	NONE

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	Amber		CASE ET AL.
2	structure solution	Amber

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 R01GM133198.