1N3K

Solution structure of phosphoprotein enriched in astrocytes 15 kDa (PEA-15)

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	VARIOUS DOUBLE AND TRIPLE RESONANCE EXPERIMENTS	1mM protein U-15N,13C	10mM sodium phosphate buffer, 1mM DTT, 50uM NaN3	10mM phosphate buffer	7.0	1 atm	298

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

NMR Refinement
Method	Details	Software
simulated annealing	The structures are based on a total of 2937 NMR-derived restraints, including 2522 NOEs, 308 dihedral angle restraints (121 phi, 95 psi, 84 chi1 and 8 chi2) and 107 3J(NH-Ha) coupling constants	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations,structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	20

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	X-PLOR	3.843	Brunger
2	refinement	X-PLOR	3.843	Brunger

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.