2JNG

Solution structure of the CUL7-CPH domain from Homo Sapiens; Northeast Structural Genomics Consortium target HT1.

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	25 mM TRIS, 250 mM sodium chloride, 55 mM H2O, 0.5 mM PMSF, 0.5 mM TCEP, 1 mM Benzamidine, 90% H2O, 10% D2O	90% H2O/10% D2O	250	7.4	ambient	298.15
2	2D 1H-13C HSQC	25 mM TRIS, 250 mM sodium chloride, 55 mM H2O, 0.5 mM PMSF, 0.5 mM TCEP, 1 mM Benzamidine, 90% H2O, 10% D2O	90% H2O/10% D2O	250	7.4	ambient	298.15
3	3D CBCA(CO)NH	25 mM TRIS, 250 mM sodium chloride, 55 mM H2O, 0.5 mM PMSF, 0.5 mM TCEP, 1 mM Benzamidine, 90% H2O, 10% D2O	90% H2O/10% D2O	250	7.4	ambient	298.15
4	3D HNCO	25 mM TRIS, 250 mM sodium chloride, 55 mM H2O, 0.5 mM PMSF, 0.5 mM TCEP, 1 mM Benzamidine, 90% H2O, 10% D2O	90% H2O/10% D2O	250	7.4	ambient	298.15
5	3D HNCACB	25 mM TRIS, 250 mM sodium chloride, 55 mM H2O, 0.5 mM PMSF, 0.5 mM TCEP, 1 mM Benzamidine, 90% H2O, 10% D2O	90% H2O/10% D2O	250	7.4	ambient	298.15
6	3D HBHA(CO)NH	25 mM TRIS, 250 mM sodium chloride, 55 mM H2O, 0.5 mM PMSF, 0.5 mM TCEP, 1 mM Benzamidine, 90% H2O, 10% D2O	90% H2O/10% D2O	250	7.4	ambient	298.15
7	3D H(CCO)NH	25 mM TRIS, 250 mM sodium chloride, 55 mM H2O, 0.5 mM PMSF, 0.5 mM TCEP, 1 mM Benzamidine, 90% H2O, 10% D2O	90% H2O/10% D2O	250	7.4	ambient	298.15
8	3D HCCH-TOCSY	25 mM TRIS, 250 mM sodium chloride, 55 mM H2O, 0.5 mM PMSF, 0.5 mM TCEP, 1 mM Benzamidine, 90% H2O, 10% D2O	90% H2O/10% D2O	250	7.4	ambient	298.15
9	3D 1H-15N NOESY	25 mM TRIS, 250 mM sodium chloride, 55 mM H2O, 0.5 mM PMSF, 0.5 mM TCEP, 1 mM Benzamidine, 90% H2O, 10% D2O	90% H2O/10% D2O	250	7.4	ambient	298.15
10	3D 1H-13C NOESY	25 mM TRIS, 250 mM sodium chloride, 55 mM H2O, 0.5 mM PMSF, 0.5 mM TCEP, 1 mM Benzamidine, 90% H2O, 10% D2O	90% H2O/10% D2O	250	7.4	ambient	298.15
11	3D H(CCO)NH	25 mM TRIS, 250 mM sodium chloride, 55 mM H2O, 0.5 mM PMSF, 0.5 mM TCEP, 1 mM Benzamidine, 90% H2O, 10% D2O	90% H2O/10% D2O	250	7.4	ambient	298.15

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)

Additional NMR Experimental Information
Details	The structure was determined using a combination of NOE and HN residual dipolar coupling data.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CNS	1.1	Brunger, Adams, Clore, Gros, Nilges and Read
2	refinement	CNS	1.1	Brunger, Adams, Clore, Gros, Nilges and Read
3	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4	peak picking	Sparky	3.106	Goddard
5	data analysis	TALOS		Cornilescu, Delaglio and Bax

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.