1X2N

Solution structure of the homeobox domain of human homeobox protein PKNOX1

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	1.00mM homeobox domain U-13C, 15N; 20mM d-Tris-HCl buffer; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O	90% H2O/10% D2O	120 mM	7.0	ambient	296
2	3D_13C-separated_NOESY	1.00mM homeobox domain U-13C, 15N; 20mM d-Tris-HCl buffer; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O	90% H2O/10% D2O	120 mM	7.0	ambient	296

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

NMR Refinement
Method	Details	Software
torsion angle dynamics		XwinNMR

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.6	Bruker
2	processing	NMRPipe	20031121	Delaglio, F.
3	data analysis	NMRView	5.0.4	Johnson, B. A.
4	data analysis	KUJIRA	0.9295	Kobayashi, N.
5	structure solution	CYANA	2.0.17	Guntert, P.
6	refinement	CYANA	2.0.17	Guntert, P.

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.