1NHA

Solution Structure of the Carboxyl-Terminal Domain of RAP74 and NMR Characterization of the FCP-Binding Sites of RAP74 and CTD of RAP74, the subunit of Human TFIIF

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	1mM cterRAP74 unlabeled, 20mM sodium phosphate, and 1mM EDTA	100% D2O	20mM sodium phosphate buffer	6.5	ambient	300
2	3D_15N-separated_NOESY	1mM cterRAP74 U-15N, 20mM sodium phosphate, and 1mM EDTA	90% H2O/10% D2O	20mM sodium phosphate buffer	6.5	ambient	300
3	3D_15N/13C-separated_NOESY	1mM cterRAP74 U-15N and U-13C, 20mM sodium phosphate, and 1mM EDTA	90% H2O/10% D2O	20mM sodium phosphate buffer	6.5	ambient	300
4	3D_13C-separated_NOESY	1mM cterRAP74 U-15N and U-13C, 20mM sodium phosphate, and 1mM EDTA	100% D2O	20mM sodium phosphate buffer	6.5	ambient	300

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	500
2	Varian	INOVA	600
3	Varian	INOVA	800

NMR Refinement
Method	Details	Software
torsion angle dynamics	The structures are based on a total of 1063 restraints, 959 are NOE-derived distance constraints, 104 dihedral angle restraints	CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with acceptable covalent geometry,structures with the least restraint violations,structures with the lowest energy
Conformers Calculated Total Number	67
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

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	CNS	1.0	Brunger
2	processing	NMRPipe	null	Bax
3	data analysis	PIPP	null	Garrett
4	refinement	CNS	modified CNS with conformational database potential	Kay and Choy, Clores

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.