2MFG | pdb_00002mfg

Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL4)/RsmE(dimer) 2:1 complex

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1 mM [U-100% 15N] RsmE, 1 mM SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	95% H2O/5% D2O	0.18	7.2	ambient	313
2	3D 1H-15N NOESY	1 mM [U-100% 15N] RsmE, 1 mM SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	95% H2O/5% D2O	0.18	7.2	ambient	313
3	2D 1H-1H NOESY	1 mM [U-100% 15N] RsmE, 1 mM SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	95% H2O/5% D2O	0.18	7.2	ambient	313
4	2D 1H-1H NOESY	1 mM [U-100% 15N] RsmE, 1 mM SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
5	2D 1H-13C HSQC	1 mM [U-100% 13C; U-100% 15N] RsmE, 1 mM SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
6	3D 1H-13C NOESY aliphatic	1 mM [U-100% 13C; U-100% 15N] RsmE, 1 mM SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	95% H2O/5% D2O	0.18	7.2	ambient	313
7	3D 1Fe3Ff NOESY	1 mM [U-100% 13C; U-100% 15N] RsmE, 1 mM SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
8	3D HCCH-TOCSY	1 mM [U-100% 13C; U-100% 15N] RsmE, 1 mM SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
9	3D HNCA	1 mM [U-100% 13C; U-100% 15N] RsmE, 1 mM SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	95% H2O/5% D2O	0.18	7.2	ambient	313
10	3D HNCACB	1 mM [U-100% 13C; U-100% 15N] RsmE, 1 mM SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	95% H2O/5% D2O	0.18	7.2	ambient	313
11	2D 1H-1H TOCSY	1 mM [U-100% 15N] RsmE, 1 mM SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
12	2D 1H-15N HSQC	1 mM [U-100% 15N] RsmE, 1 mM [U-100% 13C; U-100% 15N]-Ade/Ura RNA SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	95% H2O/5% D2O	0.18	7.2	ambient	313
13	2D 1H-15N HSQC	1 mM [U-100% 15N] RsmE, 1 mM [U-100% 13C; U-100% 15N]-Cyt/Gua RNA SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	95% H2O/5% D2O	0.18	7.2	ambient	313
14	2D 1H-13C HSQC	1 mM [U-100% 15N] RsmE, 1 mM [U-100% 13C; U-100% 15N]-Ade/Ura RNA SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
15	2D 1H-13C HSQC	1 mM [U-100% 15N] RsmE, 1 mM [U-100% 13C; U-100% 15N]-Cyt/Gua RNA SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
16	3D 1H-13C NOESY	1 mM [U-100% 15N] RsmE, 1 mM [U-100% 13C; U-100% 15N]-Ade/Ura RNA SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
17	3D 1H-13C NOESY	1 mM [U-100% 15N] RsmE, 1 mM [U-100% 13C; U-100% 15N]-Cyt/Gua RNA SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
18	3D 1Fe3Ff NOESY	1 mM [U-100% 15N] RsmE, 1 mM [U-100% 13C; U-100% 15N]-Ade/Ura RNA SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
19	3D 1Fe3Ff NOESY	1 mM [U-100% 15N] RsmE, 1 mM [U-100% 13C; U-100% 15N]-Cyt/Gua RNA SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
20	3D HCCH-TOCSY	1 mM [U-100% 15N] RsmE, 1 mM [U-100% 13C; U-100% 15N]-Ade/Ura RNA SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313
21	3D HCCH-TOCSY	1 mM [U-100% 15N] RsmE, 1 mM [U-100% 13C; U-100% 15N]-Cyt/Gua RNA SL4(RsmZ), 0.05 mM potassium phosphate, 0.03 mM sodium chloride	100% D2O	0.18	7.2	ambient	313

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	500
2	Bruker	AVANCE	600
3	Bruker	AVANCE	700
4	Bruker	AVANCE	900

NMR Refinement
Method	Details	Software
simulated annealing		TopSpin

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	999
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	TopSpin		Bruker Biospin
2	chemical shift assignment	Sparky		Goddard
3	data analysis	Sparky		Goddard
4	structure solution	CYANA		Guntert, Mumenthaler and Wuthrich
5	refinement	Amber		Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman

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 R01GM157729.

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Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL4)/RsmE(dimer) 2:1 complex

2MFG | pdb_00002mfg