7TZ8

Solution NMR structure of the PBS linker polypeptide domain (fragment 254-400) of phycobilisome linker protein ApcE from Synechocystis sp. PCC 6803 refined with NH RDCs. Northeast Structural Genomics Consortium Target SgR209C

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	1D 1H	20 mM MES, 100 mM sodium chloride, 5 mM calcium chloride, 100 mM DTT, 0.02 % sodium azide, 1.4 mM [U-100% 13C; U-100% 15N] protein	95% H2O/5% D2O	200 mM	6.5	1 atm	293	Bruker AVANCE III 850

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE III	850

NMR Refinement
Method	Details	Software
simulated annealing	CNS water refinement	CNS

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS	1.3	Brunger, Adams, Clore, Gros, Nilges and Read
2	structure calculation	CYANA	3.98.14	Guntert, Mumenthaler and Wuthrich
3	chemical shift assignment	NMRFAM-SPARKY	1.370	Lee, Westler, Bahrami, Eghbalnia, Markley
4	data analysis	PdbStat	5.21.6	Tejero, Snyder, Mao, Aramini, Montelione
5	peak picking	NMRFAM-SPARKY	1.370	Lee, Westler, Bahrami, Eghbalnia, Markley

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.