1FZT

SOLUTION STRUCTURE AND DYNAMICS OF AN OPEN B-SHEET, GLYCOLYTIC ENZYME-MONOMERIC 23.7 KDA PHOSPHOGLYCERATE MUTASE FROM SCHIZOSACCHAROMYCES POMBE

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	1mM phosphoglycerate mutase; 200mM sodium acetate, 200mM ammonium sulphate; 90% H2O, 10% D2O.	90% H2O/10% D2O		6.4	ambient	310
2	3D_13C-separated_NOESY	1mM phosphoglycerate mutase; 200mM sodium acetate, 200mM ammonium sulphate; 90% H2O, 10% D2O.	90% H2O/10% D2O		6.4	ambient	310
3	HNHA	1mM phosphoglycerate mutase; 200mM sodium acetate, 200mM ammonium sulphate; 90% H2O, 10% D2O.	90% H2O/10% D2O		6.4	ambient	310

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	AMX	600
2	Bruker	DMX	800

NMR Refinement
Method	Details	Software
simulated annealing, molecular dynamics	structures are based om 3125 noe restraints, 74 hydrogen bonds, and 149 torsion angles	Felix

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	55
Conformers Submitted Total Number	21
Representative Model	21 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	Felix	Felix95	Biosym Technologies
2	data analysis	XEASY	XEASY(1995)	Bartels et al.
3	refinement	X-PLOR	3.851	Brunger
4	data analysis	model-free	extended model, 1995	Mandel et al.

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.