2MTW

Evidence supporting the hypothesis that specifically modifying a malaria peptide to fit into HLA-DR 1*03 molecules induces antibody production and protection

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D DQF-COSY	8 mM DMSO	DMSO		3.7	ambient	295
2	2D 1H-1H TOCSY	8 mM DMSO	DMSO		3.7	ambient	295
3	2D 1H-1H NOESY	8 mM DMSO	DMSO		3.7	ambient	295

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

NMR Refinement
Method	Details	Software
distance geometry, DGSA-distance geometry simulated annealing		Insight II

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	50
Conformers Submitted Total Number	1
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	geometry optimization	Insight II		Accelrys Software Inc.
2	refinement	Insight II		Accelrys Software Inc.

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.