1E09 | pdb_00001e09

Solution Structure of the Major Cherry Allergen Pru av 1

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D-TOCSY	90% H2O / 10% D2O		10 mM	7	1 atm	308
2	2D-NOESY	90% H2O / 10% D2O		10 mM	7	1 atm	308
3	1H	90% H2O / 10% D2O		10 mM	7	1 atm	308
4	15N-HSQC	90% H2O / 10% D2O		10 mM	7	1 atm	308
5	HNHA	90% H2O / 10% D2O		10 mM	7	1 atm	308
6	3D-1H	90% H2O / 10% D2O		10 mM	7	1 atm	308
7	15N-TOCSY-HSQC	90% H2O / 10% D2O		10 mM	7	1 atm	308
8	3D-1H	90% H2O / 10% D2O		10 mM	7	1 atm	308
9	15N-NOESY-HSQC	90% H2O / 10% D2O		10 mM	7	1 atm	308
10	3D-1H	90% H2O / 10% D2O		10 mM	7	1 atm	308
11	15N/ 1H	90% H2O / 10% D2O		10 mM	7	1 atm	308
12	15N-HMQC-NOESY-HSQC	90% H2O / 10% D2O		10 mM	7	1 atm	308
13	1H	90% H2O / 10% D2O		10 mM	7	1 atm	308
14	13C-CTHSQC	90% H2O / 10% D2O		10 mM	7	1 atm	308
15	HNCO	90% H2O / 10% D2O		10 mM	7	1 atm	308
16	HNCA	90% H2O / 10% D2O		10 mM	7	1 atm	308
17	HNCACB	90% H2O / 10% D2O		10 mM	7	1 atm	308
18	CBCA(CO)NH	90% H2O / 10% D2O		10 mM	7	1 atm	308
19	H(C)CH-COSY	90% H2O / 10% D2O		10 mM	7	1 atm	308
20	(H)CCH-COSY	90% H2O / 10% D2O		10 mM	7	1 atm	308
21	HC(C)H-TOCSY	90% H2O / 10% D2O		10 mM	7	1 atm	308
22	3D-1H	90% H2O / 10% D2O		10 mM	7	1 atm	308
23	13C-NOESY-HSQC	90% H2O / 10% D2O		10 mM	7	1 atm	308
24	3D-1H	90% H2O / 10% D2O		10 mM	7	1 atm	308
25	13C/ 1H	90% H2O / 10% D2O		10 mM	7	1 atm	308
26	15N-HMQC-NOESY-HSQC	90% H2O / 10% D2O		10 mM	7	1 atm	308

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

NMR Refinement
Method	Details	Software
simulated annealing		X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	LOWEST ENERGY
Conformers Calculated Total Number	60
Conformers Submitted Total Number	22
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C/15N-LABELED PRU AV 1

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR	3.851	BRUNGER
2	structure solution	NDEE
3	structure solution	NMRView	4.1.0
4	structure solution	X-PLOR	3.851

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.