7R3V

Crystal structure of bovine Cytochrome bc1 in complex with inhibitor CK-2-67.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	P 65 2 2
Unit cell lengths	209.589, 209.589, 342.429
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.860 - 3.200
R-factor	0.20761
Rwork	0.205
R-free	0.25556
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5okd
RMSD bond length	0.007
RMSD bond angle	1.732
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.860	3.270
High resolution limit [Å]	3.200	3.200
Rmerge		1.597
Rmeas	0.225	1.718
Rpim	0.064	0.498
Number of reflections	70108	4544
<I/σ(I)>	1.7	1.7
Completeness [%]	97.2	97.2
Redundancy	9.4	4.9
CC(1/2)	0.993	0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	277	Protein 40mg/mL with 1.6% HECAMEG; reservoir solution 50mM KPi pH 6.8, 100mM NaCl, 3mM NaN3, 9-12% PEG4000