2LLK

Solution NMR structure of the N-terminal myb-like 1 domain of the human cyclin-D-binding transcription factor 1 (hDMP1), Northeast Structural Genomics Consortium (NESG) target ID hr8011a

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298
2	3D CBCA(CO)NH	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298
3	3D HNCO	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298
4	3D HNCA	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298
5	3D HBHA(CO)NH	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298
6	3D 1H-15N NOESY	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298
7	2D 1H-13C HSQC aliphatic	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298
8	2D 1H-13C HSQC aromatic	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298
9	3D 1H-13C NOESY aliphatic	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298
10	3D 1H-13C NOESY aromatic	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298
11	3D HCCH-TOCSY	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298
12	3D HCCH-TOCSY	1 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 400 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O	95% H2O/5% D2O	400	6.5	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600
2	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
restrained molecular dynamics		NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2	data analysis	TALOS		Cornilescu, Delaglio and Bax
3	peak picking	Sparky		Goddard
4	processing	MDDGUI		Gutmanas A., Orekhov V.
5	chemical shift assignment	FMCGUI		Lemak A., Steren C., Llinas M., Arrowsmith C.
6	structure solution	CYANA		Guntert, Mumenthaler and Wuthrich
7	refinement	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
8	structure validation	PSVS		Bhattacharya and Montelione

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.