Experiment: 2KW3

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1 mM [U-98% 15N] RFX5 and RFXAP-1, 1 mM [U-98% 13C; U-98% 15N] RFX5 and RFXAP-2	95% H2O/5% D2O	150	7.0	ambient	308
2	2D 1H-1H NOESY	1 mM [U-98% 15N] RFX5 and RFXAP-1, 1 mM [U-98% 13C; U-98% 15N] RFX5 and RFXAP-2	95% H2O/5% D2O	150	7.0	ambient	308
3	3D CBCA(CO)NH	1 mM [U-98% 15N] RFX5 and RFXAP-1, 1 mM [U-98% 13C; U-98% 15N] RFX5 and RFXAP-2	95% H2O/5% D2O	150	7.0	ambient	308
4	3D HNCA	1 mM [U-98% 15N] RFX5 and RFXAP-1, 1 mM [U-98% 13C; U-98% 15N] RFX5 and RFXAP-2	95% H2O/5% D2O	150	7.0	ambient	308
5	3D HN(CO)CA	1 mM [U-98% 15N] RFX5 and RFXAP-1, 1 mM [U-98% 13C; U-98% 15N] RFX5 and RFXAP-2	95% H2O/5% D2O	150	7.0	ambient	308

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

NMR Refinement
Method	Details	Software
distance geometry		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	600
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA		Guntert, Mumenthaler and Wuthrich
2	structure solution	CYANA		Guntert, Mumenthaler and Wuthrich
3	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4	collection	TopSpin		Bruker Biospin
5	data analysis	ProcheckNMR		Laskowski and MacArthur
6	chemical shift assignment	NMRView		Johnson, One Moon Scientific
7	data analysis	NMRView		Johnson, One Moon Scientific
8	processing	NMRDraw		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax

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.