2N4A

EC-NMR Structure of Ralstonia metallidurans Rmet_5065 Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target CrR115

SOLUTION NMR

NMR Refinement
Method	Details	Software
torsion angle dynamics	Protons from the Rosetta models were removed and added back using Reduce.	Rosetta

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

Additional NMR Experimental Information
Details	Author used the CS, RDC and NOESY peak lists data from entry 2LCG.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	Rosetta		Baker, D.
2	data analysis	EVfold-plm
3	data analysis	ASDP
4	data analysis	CYANA		Guntert, P., Mumenthaler, C. and Wuthrich, K.
5	data analysis	EC-NMR
6	data analysis	TALOS+
7	refinement	Reduce		Richardson, J., Richardson, D.

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.