2KW5

Solution NMR Structure of the Slr1183 protein from Synechocystis sp. PCC 6803, Northeast Structural Genomics Consortium Target SgR145

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
2	2D 1H-13C HSQC	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
3	3D HNCO	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
4	3D CBCA(CO)NH	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
5	3D HNCACB	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
6	2D 1H-15N HSQC	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
7	2D 1H-15N HSQC	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
8	3D HNCA(CO)	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
9	3D HNCA	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
10	3D 1H-13C NOESY	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
11	3D 1H-15N NOESY	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
12	3D 1H-13C HSQC_NOESY_HSQC	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
13	3D 1H-15N HSQC_NOESY_HSQC	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
14	3D 1H-13C-15N HSQC_NOESY_HSQC	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
15	3D 1H-15N-13C HSQC_NOESY_HSQC	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
16	3D HCCH-TOCSY	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
17	1D 15N T1	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
18	1D 15N T2 CPMG	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298
19	2D- HET NOE	1.1 mM [U-100% 13C; U-100% 15N] SgR145	95% H2O/5% D2O		6.5	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	Avance	800
2	Varian	INOVA	600

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)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
2	structure solution	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
3	geometry optimization	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
4	refinement	CYANA	3.0	Guntert, Mumenthaler and Wuthrich
5	geometry optimization	CYANA	3.0	Guntert, Mumenthaler and Wuthrich
6	structure solution	CYANA	3.0	Guntert, Mumenthaler and Wuthrich
7	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
8	collection	TOPSPIN		Bruker Biospin
9	collection	VNMRJ		Varian

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.

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2KW5

Solution NMR Structure of the Slr1183 protein from Synechocystis sp. PCC 6803, Northeast Structural Genomics Consortium Target SgR145