2JTV

Solution Structure of protein RPA3401, Northeast Structural Genomics Consortium Target RpT7, Ontario Center for Structural Proteomics Target RP3384

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	95% H2O/5% D2O	300	7.0	ambient	298
2	2D 1H-13C HSQC	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	95% H2O/5% D2O	300	7.0	ambient	298
3	3D HNCO	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	95% H2O/5% D2O	300	7.0	ambient	298
4	3D HNCA	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	95% H2O/5% D2O	300	7.0	ambient	298
5	3D CBCA(CO)NH	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	95% H2O/5% D2O	300	7.0	ambient	298
6	3D 1H-15N NOESY	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	95% H2O/5% D2O	300	7.0	ambient	298
7	3D 1H-13C NOESY	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	95% H2O/5% D2O	300	7.0	ambient	298
8	3D HCCH-TOCSY	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	100% D2O	300	7.0	ambient	298
9	3D HCCH-TOCSY	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	100% D2O	300	7.0	ambient	298
10	4D(PR) HBHACBCA(CO)NH	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	95% H2O/5% D2O	300	7.0	ambient	298
11	4D(PR) HCC(CO)NH TOCSY	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	95% H2O/5% D2O	300	7.0	ambient	298
12	3D 1H-13C NOESY	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	100% D2O	300	7.0	ambient	298
13	3D 1H-13C aromatic NOESY	0.6 mM [U-13C; U-15N] RHA3401, 300 mM NaCl, 10 mM [U-99% 2H] TRIS, 1 mM Benzamidine, 0.01 % NaN3	95% H2O/5% D2O	300	7.0	ambient	298

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

NMR Refinement
Method	Details	Software
molecular dynamics		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CNS		Brunger, A.T. et al.
2	refinement	CNS		Brunger, A.T. et al.
3	processing	NMRPipe		Delaglio, F. et al.
4	data analysis	TALOS		Cornilescu, G. et al.
5	data analysis	SPARKY		Goddard, T.D. et al.

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.