1J4K

SOLUTION STRUCTURE OF THE FHA2 DOMAIN OF RAD53 COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE DERIVED FROM RAD9

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-SEPARATED_NOESY	0.5 MM FHA2 U-15N,13C 1MM PHOSPHOTYROSYL PEPTIDE OF RAD9; 10 MM SODIUM PHOSPHATE (PH 6.5) , 1 MM DTT, AND 1 MM EDTA		10 mM SODIUM PHOSPHATE(PH 6.5), 1 mM DTT, AND 1 mM EDTA	6.50	AMBIENT	293.00
2	3D_15N-SEPARATED_NOESY	0.5 MM FHA2 U-15N,13C 1MM PHOSPHOTYROSYL PEPTIDE OF RAD9; 10 MM SODIUM PHOSPHATE (PH 6.5) , 1 MM DTT, AND 1 MM EDTA		10 mM SODIUM PHOSPHATE(PH 6.5), 1 mM DTT, AND 1 mM EDTA	6.50	AMBIENT	293.00

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	800

NMR Refinement
Method	Details	Software
simulated annealing	THE COMPLEX STRUCTURES ARE GENERATED USING A TOTAL OF 3398 RESTRAINTS, 3210 DISTANCE RESTRAINTS, AND 188 TOLOS-DERIVED DIHEDRAL ANGLE RESTRAINTS.	XwinNMR

NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number	1

Additional NMR Experimental Information
Details	THE STRUCTURE WAS DETERMINED USING TRIPLE- RESONANCE NMR SPECTROSCOPY.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	XwinNMR	2.6
2	structure solution	X-PLOR	3.851
3	refinement	X-PLOR	3.851

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.