2JOY

NMR Structure of 50S Ribosomal Protein L14e from Sulfolobus Solfataricus: Northeast Structural Genomics Consortium Target SSR105

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.5 mM [U-100% 13C; U-100% 15N] entity	90% H2O/10% D2O	320	7.0	ambient	298
2	2D 1H-13C HSQC	0.5 mM [U-100% 13C; U-100% 15N] entity	90% H2O/10% D2O	320	7.0	ambient	298
3	3D CBCA(CO)NH	0.5 mM [U-100% 13C; U-100% 15N] entity	90% H2O/10% D2O	320	7.0	ambient	298
4	3D HNCACB	0.5 mM [U-100% 13C; U-100% 15N] entity	90% H2O/10% D2O	320	7.0	ambient	298
5	3D HNCO	0.5 mM [U-100% 13C; U-100% 15N] entity	90% H2O/10% D2O	320	7.0	ambient	298
6	3D HBHA(CO)NH	0.5 mM [U-100% 13C; U-100% 15N] entity	90% H2O/10% D2O	320	7.0	ambient	298
7	4,3 D GFT HCCH COFY	0.5 mM [U-100% 13C; U-100% 15N] entity	90% H2O/10% D2O	320	7.0	ambient	298
8	3D HCCH-COSY	0.5 mM [U-100% 13C; U-100% 15N] entity	90% H2O/10% D2O	320	7.0	ambient	298
9	3D Simultanious NOESY	0.5 mM [U-100% 13C; U-100% 15N] entity	90% H2O/10% D2O	320	7.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	750
2	Varian	INOVA	600

NMR Refinement
Method	Details	Software
simulated annealing	CNS waterbath refinement is performed to refine the structure	VNMR

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR		Varian
2	data analysis	AutoAssign		Zimmerman, Moseley, Kulikowski, Montelione
3	refinement	AutoStructure		Huang, Swapna, Rajan, Ke, Xia, Shukla, Inouye and Montelione
4	refinement	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
5	refinement	CYANA		Guntert, Mumenthaler and Wuthrich
6	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
7	data analysis	MOLMOL		Koradi, Billeter and Wuthrich

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.