2JZC

NMR solution structure of ALG13: The sugar donor subunit of a yeast N-acetylglucosamine transferase. Northeast Structural Genomics Consortium target YG1

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.35 mM [U-13C; U-15N; U-2H] ALG13, 20 mM sodium phosphate, 100 mM sodium chloride, 0.02 % sodium azide	95% H2O/5% D2O	0.1	6.7	ambient	297
2	3D HNCACB	0.35 mM [U-13C; U-15N; U-2H] ALG13, 20 mM sodium phosphate, 100 mM sodium chloride, 0.02 % sodium azide	95% H2O/5% D2O	0.1	6.7	ambient	297
3	3D HNCA	0.35 mM [U-13C; U-15N; U-2H] ALG13, 20 mM sodium phosphate, 100 mM sodium chloride, 0.02 % sodium azide	95% H2O/5% D2O	0.1	6.7	ambient	297
4	3D HN(CO)CA	0.35 mM [U-13C; U-15N; U-2H] ALG13, 20 mM sodium phosphate, 100 mM sodium chloride, 0.02 % sodium azide	95% H2O/5% D2O	0.1	6.7	ambient	297
5	3D HN(COCA)CB	0.35 mM [U-13C; U-15N; U-2H] ALG13, 20 mM sodium phosphate, 100 mM sodium chloride, 0.02 % sodium azide	95% H2O/5% D2O	0.1	6.7	ambient	297
6	3D HNCACO	0.35 mM [U-13C; U-15N; U-2H] ALG13, 20 mM sodium phosphate, 100 mM sodium chloride, 0.02 % sodium azide	95% H2O/5% D2O	0.1	6.7	ambient	297
7	3D HNCO	0.35 mM [U-13C; U-15N; U-2H] ALG13, 20 mM sodium phosphate, 100 mM sodium chloride, 0.02 % sodium azide	95% H2O/5% D2O	0.1	6.7	ambient	297
8	3D 1H-15N NOESY	0.35 mM [U-15N;U-2H; 13C,1H Leu, Val, Ile.D1 methyl] ALG13, 20 mM sodium phosphate, 100 mM sodium chloride	95% H2O/5% D2O	0.1	6.7	ambient	297
9	3D 1H-13C NOESY	0.35 mM [U-15N;U-2H; 13C,1H Leu, Val, Ile.D1 methyl] ALG13, 20 mM sodium phosphate, 100 mM sodium chloride	95% H2O/5% D2O	0.1	6.7	ambient	297
10	3D 1H-13C NOESY	0.35 mM [U-15N;U-2H; 13C,1H Leu, Val, Ile.D1 methyl; 1H-Phe] ALG13, 20 mM sodium phosphate, 100 mM sodium chloride	95% H2O/5% D2O	0.1	6.7	ambient	297
11	2D S3-TROSY	0.35 mM [U-13C; U-15N; U-2H] ALG13, 20 mM sodium phosphate, 100 mM sodium chloride, 0.02 % sodium azide, 3.5 % w/v acrylamide, 3.5 % w/v (3-acrylamidopropyl)-trimethylammonium chloride	95% H2O/5% D2O	0.1	6.7	ambient	297

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITY	600
2	Varian	UNITY	900

NMR Refinement
Method	Details	Software
simulated annealing	Simulated annealing with the default XPLOR-NIH refinement protocol	NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	50
Conformers Submitted Total Number	10
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	NMRView		Johnson, One Moon Scientific
3	structure solution	CYANA		Guntert, Mumenthaler and Wuthrich
4	refinement	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore

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.