2N44

EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target ER690

SOLUTION NMR

NMR Refinement
Method	Details	Software
torsion angle dynamics	PROTONS FROM THE ROSETTA MODELS WERE REMOVED AND ADDED BACK USING REDUCE.	EVfold-plm

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Additional NMR Experimental Information
Details	AUTHORS USED THE CS DATA AND THE NOESY PEAK LIST DATA FROM PDB ENTRY 2MV0, AND THE RDC DATA FROM PDB ENTRY 1EZP.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	data analysis	EVfold-plm
2	data analysis	ASDP (EC-NMR)
3	data analysis	CYANA
4	refinement	Rosetta		Baker, D. et al.
5	data analysis	TALOS+
6	refinement	Reduce		Richardson, J. & Richardson, D.

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.