Experiment: 6TV5

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 1H-15N NOESY	20 mM NA sodium chloride, 20 mM [U-99% 2H] acetic acid, 2 mM [U-13C; U-15N] Tubuliform protein N-terminal domain, 0.03 % NA sodium azide, 1 mM NA EDTA	95% H2O/5% D2O	0.0285 M	5.5	AMBIENT atm	298	Bruker AVANCE 600
2	3D 1H-13C NOESY aliphatic	20 mM NA sodium chloride, 20 mM [U-99% 2H] acetic acid, 2 mM [U-13C; U-15N] Tubuliform protein N-terminal domain, 0.03 % NA sodium azide, 1 mM NA EDTA	95% H2O/5% D2O	0.0285 M	5.5	AMBIENT atm	298	Bruker AVANCE 600
3	3D 1H-13C NOESY aromatic	20 mM NA sodium chloride, 20 mM [U-99% 2H] acetic acid, 2 mM [U-13C; U-15N] Tubuliform protein N-terminal domain, 0.03 % NA sodium azide, 1 mM NA EDTA	95% H2O/5% D2O	0.0285 M	5.5	AMBIENT atm	298	Bruker AVANCE 600
4	3D CBCA(CO)NH	20 mM NA sodium chloride, 20 mM [U-99% 2H] acetic acid, 2 mM [U-13C; U-15N] Tubuliform protein N-terminal domain, 0.03 % NA sodium azide, 1 mM NA EDTA	95% H2O/5% D2O	0.0285 M	5.5	AMBIENT atm	298	Bruker AVANCE 600
5	3D HNHA	20 mM NA sodium chloride, 20 mM [U-99% 2H] acetic acid, 2 mM [U-13C; U-15N] Tubuliform protein N-terminal domain, 0.03 % NA sodium azide, 1 mM NA EDTA	95% H2O/5% D2O	0.0285 M	5.5	AMBIENT atm	298	Bruker AVANCE 600
6	3D HNCA	20 mM NA sodium chloride, 20 mM [U-99% 2H] acetic acid, 2 mM [U-13C; U-15N] Tubuliform protein N-terminal domain, 0.03 % NA sodium azide, 1 mM NA EDTA	95% H2O/5% D2O	0.0285 M	5.5	AMBIENT atm	298	Bruker AVANCE 600
7	3D HN(CA)CO	20 mM NA sodium chloride, 20 mM [U-99% 2H] acetic acid, 2 mM [U-13C; U-15N] Tubuliform protein N-terminal domain, 0.03 % NA sodium azide, 1 mM NA EDTA	95% H2O/5% D2O	0.0285 M	5.5	AMBIENT atm	298	Bruker AVANCE 600
8	3D HNCO	20 mM NA sodium chloride, 20 mM [U-99% 2H] acetic acid, 2 mM [U-13C; U-15N] Tubuliform protein N-terminal domain, 0.03 % NA sodium azide, 1 mM NA EDTA	95% H2O/5% D2O	0.0285 M	5.5	AMBIENT atm	298	Bruker AVANCE 600
9	2D 1H-15N HSQC	20 mM NA sodium chloride, 20 mM [U-99% 2H] acetic acid, 2 mM [U-13C; U-15N] Tubuliform protein N-terminal domain, 0.03 % NA sodium azide, 1 mM NA EDTA	95% H2O/5% D2O	0.0285 M	5.5	AMBIENT atm	298	Bruker AVANCE 600

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

NMR Refinement
Method	Details	Software
torsion angle dynamics		CYANA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure calculation	CYANA	2.1	Guntert, Mumenthaler and Wuthrich
2	chemical shift assignment	CARA	1.8.4	Keller and Wuthrich
3	refinement	CNS	1.3	Brunger, Adams, Clore, Gros, Nilges and Read
8	peak picking	CANDID	2.2	Herrmann, Guntert and Wuthrich
6	processing	TopSpin	4.0.6	Bruker Biospin
7	structure calculation	CANDID		Herrmann, Guntert and Wuthrich

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.