Experiment: 6OSW

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	TROSY-HNCO	270 uM [U-13C; U-15N] FoxM1 NRD, 270 uM [U-13C] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
2	TROSY-HN(CA)CO	270 uM [U-13C; U-15N] FoxM1 NRD, 270 uM [U-13C] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
3	TROSY-HNCA	270 uM [U-13C; U-15N] FoxM1 NRD, 270 uM [U-13C] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
4	TROSY-HN(CO)CA	270 uM [U-13C; U-15N] FoxM1 NRD, 270 uM [U-13C] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
5	TROSY-HNCB	270 uM [U-13C; U-15N] FoxM1 NRD, 270 uM [U-13C] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
13	TROSY-HN(COCA)CB	270 uM [U-13C; U-15N] FoxM1 NRD, 270 uM [U-13C] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
12	HMQC	270 uM [U-13C; U-15N; U-2H] FoxM1 NRD, 270 uM [U-13C; U-15N; U-2H] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
11	methyl-HSQC	270 uM [U-13C; U-15N; U-2H] FoxM1 NRD, 270 uM [U-13C; U-15N; U-2H] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
10	NOESY HN-NHN	270 uM [U-13C; U-15N; U-2H] FoxM1 NRD, 270 uM [U-13C; U-15N; U-2H] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
9	NOESY N-NHN	270 uM [U-13C; U-15N; U-2H] FoxM1 NRD, 270 uM [U-13C; U-15N; U-2H] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
8	NOESY HNHAro-CMHM	270 uM [U-13C; U-15N; U-2H] FoxM1 NRD, 270 uM [U-13C; U-15N; U-2H] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
7	NOESY CM-NHN	270 uM [U-13C; U-15N; U-2H] FoxM1 NRD, 270 uM [U-13C; U-15N; U-2H] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
14	NOESY HM-CMHM	270 uM [U-13C; U-15N; U-2H] FoxM1 NRD, 270 uM [U-13C; U-15N; U-2H] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
15	NOESY CM-CMHM	270 uM [U-13C; U-15N; U-2H] FoxM1 NRD, 270 uM [U-13C; U-15N; U-2H] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
6	isotopomer-selective TOCSY	270 uM [U-13C; U-15N; U-2H] FoxM1 NRD, 270 uM [U-13C; U-15N; U-2H] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
16	TROSY-HSQC	270 uM [U-13C; U-15N] FoxM1 NRD, 270 uM [U-13C] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Bruker AVANCE III HD 800
17	Dnh (NH)	270 uM [U-13C; U-15N] FoxM1 NRD, 270 uM [U-13C] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Varian INOVA600 600
18	DNC (NCO)	270 uM [U-13C; U-15N] FoxM1 NRD, 270 uM [U-13C] FoxM1 TAD, 20 mM sodium phosphate, 100 mM potassium chloride	95% H2O/5% D2O	100 mM	6.3	1 atm	298	Varian INOVA600 600

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE III HD	800
2	Varian	INOVA600	600

NMR Refinement
Method	Details	Software
na	The authors state that refinement was performed using the RASREC-Rosetta protocol. The ensemble structures were selected based on rosetta energies, minimum number of NOE violations and good fit to RDC measurements. The best representative conformer (model 1) was selected based upon rosetta energies.	CS-ROSETTA

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	100
Conformers Submitted Total Number	10
Representative Model	1 (target function)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CS-ROSETTA		Shen, Vernon, Baker and Bax
2	structure calculation	CS-ROSETTA		Shen, Vernon, Baker and Bax
3	chemical shift assignment	Sparky		Goddard
4	peak picking	Sparky		Goddard
5	collection	TopSpin		Bruker Biospin
6	data analysis	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
7	data analysis	NMRDraw		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer 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.