1TL6 | pdb_00001tl6

Solution structure of T4 bacteriphage AsiA monomer

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	0.7 mM AsiA, phosphate buffered saline,2 mM CHAPS	97% H2O, 3% D2O	150 mM NaCl	7.0	1 atm	298
2	3D_15N-separated_NOESY	0.7 mM AsiA, phosphate buffered saline,2 mM CHAPS	97% H2O, 3% D2O	150 mM NaCl	7.0	1 atm	298
3	residual dipolar couplings in Pf1 phage @ 9 mg/ml	0.7 mM AsiA, phosphate buffered saline,2 mM CHAPS	97% H2O, 3% D2O	150 mM NaCl	7.0	1 atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX	500
2	Bruker	DMX	600
3	Bruker	DMX	800

NMR Refinement
Method	Details	Software
dynamical simulated annealing with restrained energy minimization		Xplor-NIH

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	100
Conformers Submitted Total Number	22
Representative Model	1 (fewest violations)

Additional NMR Experimental Information
Details	NH and CalphaH RDC values measured

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	Xplor-NIH	2.9.3	Clore and Schweiters
2	data analysis	NMRPipe	2.2	Delaglio

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.