1QXF

SOLUTION STRUCTURE OF 30S RIBOSOMAL PROTEIN S27E FROM ARCHAEOGLOBUS FULGIDUS: GR2, A NESG TARGET PROTEIN

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-SEPARATED_NOESY	0.8 MM GR2 (100% 15N, 100% 13C), 20 MM MES, 100 MM NACL, 5 MM CACL2, 10 MM DTT, 0.02% NAN3	95% H2O/5% D2O		6.5	1.0 ATM	298
2	3D_ 15N-SEPARATED_NOESY	0.8 MM GR2 (100% 15N, 100% 13C), 20 MM MES, 100 MM NACL, 5 MM CACL2, 10 MM DTT, 0.02% NAN3	95% H2O/5% D2O		6.5	1.0 ATM	298
3	3D HNCACB	0.8 MM GR2 (100% 15N, 100% 13C), 20 MM MES, 100 MM NACL, 5 MM CACL2, 10 MM DTT, 0.02% NAN3	95% H2O/5% D2O		6.5	1.0 ATM	298
4	3D HCCH-COSY RD	0.8 MM GR2 (100% 15N, 100% 13C), 20 MM MES, 100 MM NACL, 5 MM CACL2, 10 MM DTT, 0.02% NAN3	95% H2O/5% D2O		6.5	1.0 ATM	298
5	3D HABCAB(CO)NH RD	0.8 MM GR2 (100% 15N, 100% 13C), 20 MM MES, 100 MM NACL, 5 MM CACL2, 10 MM DTT, 0.02% NAN3	95% H2O/5% D2O		6.5	1.0 ATM	298
6	3D HNHA	0.8 MM GR2 (100% 15N, 100% 13C), 20 MM MES, 100 MM NACL, 5 MM CACL2, 10 MM DTT, 0.02% NAN3	95% H2O/5% D2O		6.5	1.0 ATM	298
7	3D HNCO	0.8 MM GR2 (100% 15N, 100% 13C), 20 MM MES, 100 MM NACL, 5 MM CACL2, 10 MM DTT, 0.02% NAN3	95% H2O/5% D2O		6.5	1.0 ATM	298
8	2D 1H-1H NOESY	0.8 MM GR2 (100% 15N, 100% 13C), 20 MM MES, 100 MM NACL, 5 MM CACL2, 10 MM DTT, 0.02% NAN3	95% H2O/5% D2O		6.5	1.0 ATM	298
9	2D C13HSQC	0.8 MM GR2 (100% 15N, 100% 13C), 20 MM MES, 100 MM NACL, 5 MM CACL2, 10 MM DTT, 0.02% NAN3	95% H2O/5% D2O		6.5	1.0 ATM	298
10	Constant time gChsqc	0.8 MM, GR2 (100% 15N, 5% 13C), 20 MM MES, 100 MM NACL, 5 MM CACL2, 10 MM DTT, 0.02% NAN3	95% H2O/5% D2O		6.5	1.0 ATM	298
11	non-Constant time gChsqc	0.8 MM, GR2 (100% 15N, 5% 13C), 20 MM MES, 100 MM NACL, 5 MM CACL2, 10 MM DTT, 0.02% NAN3	95% H2O/5% D2O		6.5	1.0 ATM	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Varian	INOVA	500

NMR Refinement
Method	Details	Software
DYANA 1.5 WITH 30,000 TAD STEPS AND SIMULATED ANNEALING		CYANA

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

Additional NMR Experimental Information
Details	THE RD (REDUCED DIMENSIONALITY) EXPERIMENTS ARE FROM SZYPERSKI ET AL., PROC. NATL. ACAD. SCI. USA, VOL. 99, PP 8014 (2002)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA	1.05	GUNTERT, P.
2	structure solution	DYANA	1.5	GUNTERT, P.
3	structure solution	MOLMOL	1.0	KORADI, R.
4	structure solution	XEASY	1.3.3	BILLETER, M.

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.