2CTR

Solution structure of J-domain from human DnaJ subfamily B menber 9

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	1.11mM DnaJ domain U-13C,15N; 20mM Phosphate buffer Na (pH7.0); 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O	90% H2O/10% D2O	120mM	7.0	ambient	296
2	3D_13C-separated_NOESY	1.11mM DnaJ domain U-13C,15N; 20mM Phosphate buffer Na (pH7.0); 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O	90% H2O/10% D2O	120mM	7.0	ambient	296

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	700

NMR Refinement
Method	Details	Software
Tosion angle dynamics		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	target function,structures with the lowest energy,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	0.9297	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.