Experiment: 2JTX

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-1H NOESY	1 mM TFIIE-alpha;, 20 mM sodium phosphate, 200 mM sodium chloride, 1 mM EDTA	100% D2O	0.2	7.5	ambient	300
2	3D HNHA	1 mM [U-100% 15N] TFIIE-alpha;, 20 mM sodium phosphate, 200 mM sodium chloride, 1 mM EDTA	90% H2O/10% D2O	0.2	7.5	ambient	300
3	3D 1H-15N NOESY	1 mM [U-100% 15N] TFIIE-alpha;, 20 mM sodium phosphate, 200 mM sodium chloride, 1 mM EDTA	90% H2O/10% D2O	0.2	7.5	ambient	300
4	3D HNCO	1 mM [U-100% 13C; U-100% 15N] TFIIE-alpha;, 20 mM sodium phosphate, 200 mM sodium chloride, 1 mM EDTA	90% H2O/10% D2O	0.2	7.5	ambient	300
5	3D HNCACB	1 mM [U-100% 13C; U-100% 15N] TFIIE-alpha;, 20 mM sodium phosphate, 200 mM sodium chloride, 1 mM EDTA	90% H2O/10% D2O	0.2	7.5	ambient	300
6	3D CBCA(CO)NH	1 mM [U-100% 13C; U-100% 15N] TFIIE-alpha;, 20 mM sodium phosphate, 200 mM sodium chloride, 1 mM EDTA	90% H2O/10% D2O	0.2	7.5	ambient	300
7	3D C(CO)NH	1 mM [U-100% 13C; U-100% 15N] TFIIE-alpha;, 20 mM sodium phosphate, 200 mM sodium chloride, 1 mM EDTA	90% H2O/10% D2O	0.2	7.5	ambient	300
8	3D H(CCO)NH	1 mM [U-100% 13C; U-100% 15N] TFIIE-alpha;, 20 mM sodium phosphate, 200 mM sodium chloride, 1 mM EDTA	90% H2O/10% D2O	0.2	7.5	ambient	300
9	3D HCCH-COSY	1 mM [U-100% 13C; U-100% 15N] TFIIE-alpha;, 20 mM sodium phosphate, 200 mM sodium chloride, 1 mM EDTA	100% D2O	0.2	7.5	ambient	300
10	3D 1H-13C NOESY	1 mM [U-100% 13C; U-100% 15N] TFIIE-alpha;, 20 mM sodium phosphate, 200 mM sodium chloride, 1 mM EDTA	100% D2O	0.2	7.5	ambient	300

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

NMR Refinement
Method	Details	Software
simulated annealing		VNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	6.1.C	Varian
2	processing	NMRPipe	2.2	Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3	data analysis	NMRView		Johnson, One Moon Scientific
4	structure solution	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
5	refinement	CNS		Brunger, Adams, Clore, Gros, Nilges and Read

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.