1NU1

Crystal Structure of Mitochondrial Cytochrome bc1 Complexed with 2-nonyl-4-hydroxyquinoline N-oxide (NQNO)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	1.2
Spacegroup name	I 41 2 2
Unit cell lengths	153.842, 153.842, 590.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 3.200
R-factor	0.21728
Rwork	0.215
R-free	0.29600 *
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.019
RMSD bond angle	2.056
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.275
High resolution limit [Å]	3.200	3.201
Rmerge	0.085 *	0.679 *
Number of reflections	58833
Completeness [%]	99.7	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.2	277	PEG 4000, ammonium acetate, potassium chloride, glycerol, DMG/SPC, MOPS, pH 7.2, VAPOR DIFFUSION, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	MOPS	50 (mM)	pH7.2
3	1	reservoir	ammonium acetate	20 (mM)
4	1	reservoir	glycerol	20 (%(w/v))
5	1	reservoir	decanoyl-N-methylglucamide	0.1 (%)