1D4U

INTERACTIONS OF HUMAN NUCLEOTIDE EXCISION REPAIR PROTEIN XPA WITH RPA70 AND DNA: CHEMICAL SHIFT MAPPING AND 15N NMR RELAXATION STUDIES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-SEPARATED_NOESY	50MM TRIS-HCL;PH7.3,150MM KCL, 25MM DTT		150mM	7.3	1ATM.	303
2	HNCACB	50MM TRIS-HCL;PH7.3,150MM KCL, 25MM DTT		150mM	7.3	1ATM.	303
3	HCCH-TOCSY	50MM TRIS-HCL;PH7.3,150MM KCL, 25MM DTT		150mM	7.3	1ATM.	303
4	HCCH-TOCSY-NNH	50MM TRIS-HCL;PH7.3,150MM KCL, 25MM DTT		150mM	7.3	1ATM.	303
5	HNCO	50MM TRIS-HCL;PH7.3,150MM KCL, 25MM DTT		150mM	7.3	1ATM.	303
6	CBCA(CO)NH	50MM TRIS-HCL;PH7.3,150MM KCL, 25MM DTT		150mM	7.3	1ATM.	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Varian	UNITYPLUS	750

NMR Refinement
Method	Details	Software
simulated annealing	PARAMAGNETIC PSEUDOCONTACT SHIFTS WERE USED IN THE REFINEMENT.	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	10
Conformers Submitted Total Number	1
Representative Model	1 (lowest energy)

Additional NMR Experimental Information
Details	3D NOESY AND TOCSY SPECTRA WERE COLLECTED ON THE CO2+ SUBSTITUTED XPA-MBD.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR	3.1	BRUNGER, A.T.

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.