5NF8

Solution structure of detergent-solubilized Rcf1, a yeast mitochondrial inner membrane protein involved in respiratory Complex III/IV supercomplex formation

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.4 mM [U-15N] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 700
2	2D 1H-15N HSQC	0.4 mM [U-15N] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
3	3D HNCACB	0.4 mM [U-13C; U-15N; U-2H] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
4	3D HN(COCA)CB	0.4 mM [U-13C; U-15N; U-2H] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 700
5	3D HNCO	0.4 mM [U-13C; U-15N; U-2H] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
6	3D HN(CA)CO	0.4 mM [U-13C; U-15N; U-2H] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
7	3D HNCA	0.4 mM [U-13C; U-15N; U-2H] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
8	3D HN(CO)CA	0.4 mM [U-13C; U-15N; U-2H] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
9	3D N-NOESY-HSQC	0.4 mM [U-13C; U-15N; U-2H] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
10	3D HCCH-TOCSY	0.4 mM [U-13C; U-15N] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
11	3D CC(CO)NH	0.4 mM [U-13C; U-15N] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
12	3D H(CCO)NH	0.4 mM [U-13C; U-15N] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
13	2D 1H-13C HSQC	0.4 mM [U-13C; U-15N] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
14	3D N-NOESY-HSQC	0.4 mM [U-13C; U-15N] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
15	3D C-NOESY-HSQC	0.4 mM [U-13C; U-15N] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
16	2D 1H-13C HSQC	0.4 mM [U-13C; U-15N; 50% U-2H] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
17	3D N-NOESY-HSQC	0.4 mM [U-13C; U-15N; 50% U-2H] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
18	3D C-NOESY-HSQC	0.4 mM [U-13C; U-15N; 50% U-2H] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
19	2D 1H-13C HSQC	0.4 mM [U-15N; U-2H; 99%-1HD, 13CD-IL; 99%-1HG, 13CG-V] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
20	3D C-NOESY-HSQC	0.4 mM [U-15N; U-2H; 99%-1HD, 13CD-IL; 99%-1HG, 13CG-V] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
21	3D F1-13C/15N-filtered, F3-15N-edited-NOESY-HSQC	0.4 mM [U-50% 13C; U-50% 15N; U-50% 12C; U-50% 14N] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900
22	3D F1-13C/15N-filtered, F3-13C-edited-NOESY-HSQC	0.4 mM [U-50% 13C; U-50% 15N; U-50% 12C; U-50% 14N] rcf1	90% H2O/10% D2O	0	5.0	1 Pa	323	Bruker AVANCE III 900

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE III	900
2	Bruker	AVANCE III	700

NMR Refinement
Method	Details	Software
simulated annealing		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	15
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	TopSpin		Bruker Biospin
2	chemical shift assignment	CcpNmr Analysis		CCPN
3	structure calculation	CNS		Brunger, Adams, Clore, Gros, Nilges and Read

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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5NF8

Solution structure of detergent-solubilized Rcf1, a yeast mitochondrial inner membrane protein involved in respiratory Complex III/IV supercomplex formation