2K6G

Solution structure of the DNA binding BRCT domain from the large subunit of human Replication Factor C

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.5 mM [U-15N; U-13C] RFC p140 BRCT region, 0.5 mM self - annealing hairpin - dsDNA, 20 mM Tris-HCl, 5 mM NaCl, 1 mM DTT	95% H2O/5% D2O		7.5		298
2	2D 1H-13C HSQC	0.5 mM [U-15N; U-13C] RFC p140 BRCT region, 0.5 mM self - annealing hairpin - dsDNA, 20 mM Tris-HCl, 5 mM NaCl, 1 mM DTT	95% H2O/5% D2O		7.5		298
3	3D CBCA(CO)NH	0.5 mM [U-15N; U-13C] RFC p140 BRCT region, 0.5 mM self - annealing hairpin - dsDNA, 20 mM Tris-HCl, 5 mM NaCl, 1 mM DTT	95% H2O/5% D2O		7.5		298
4	3D HNCA	0.5 mM [U-15N; U-13C] RFC p140 BRCT region, 0.5 mM self - annealing hairpin - dsDNA, 20 mM Tris-HCl, 5 mM NaCl, 1 mM DTT	95% H2O/5% D2O		7.5		298
5	3D HNCACB	0.5 mM [U-15N; U-13C] RFC p140 BRCT region, 0.5 mM self - annealing hairpin - dsDNA, 20 mM Tris-HCl, 5 mM NaCl, 1 mM DTT	95% H2O/5% D2O		7.5		298
6	CCH-TOCSY	0.5 mM [U-15N; U-13C] RFC p140 BRCT region, 0.5 mM self - annealing hairpin - dsDNA, 20 mM Tris-HCl, 5 mM NaCl, 1 mM DTT	95% H2O/5% D2O		7.5		298
7	3D 1H-15N NOESY	0.5 mM [U-15N; U-13C] RFC p140 BRCT region, 0.5 mM self - annealing hairpin - dsDNA, 20 mM Tris-HCl, 5 mM NaCl, 1 mM DTT	95% H2O/5% D2O		7.5		298
8	3D 1H-13C NOESY	0.5 mM [U-15N; U-13C] RFC p140 BRCT region, 0.5 mM self - annealing hairpin - dsDNA, 20 mM Tris-HCl, 5 mM NaCl, 1 mM DTT	95% H2O/5% D2O		7.5		298
9	2D 1H-1H NOESY	0.5 mM [U-15N; U-13C] RFC p140 BRCT region, 0.5 mM self - annealing hairpin - dsDNA, 20 mM Tris-HCl, 5 mM NaCl, 1 mM DTT	95% H2O/5% D2O		7.5		298

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

NMR Refinement
Method	Details	Software
simulated annealing	RECOORD scripts using CNS	CNS

NMR Ensemble Information
Conformer Selection Criteria	bb conformation Z-score (whatif)
Conformers Calculated Total Number	180
Conformers Submitted Total Number	24
Representative Model	1 (lowest bb conformation z-scores)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
2	structure solution	CYANA	2.1	Guntert, Mumenthaler and Wuthrich

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.