5OKD

Crystal structure of bovine Cytochrome bc1 in complex with inhibitor SCR0911.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 65 2 2
Unit cell lengths	209.871, 209.871, 342.097
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.760 - 3.100
R-factor	0.20641
Rwork	0.205
R-free	0.23993
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d6t
RMSD bond length	0.007
RMSD bond angle	1.260
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.000	3.160
High resolution limit [Å]	3.100	3.100
Rmerge	0.104	1.126
Rpim	0.043	0.655
Number of reflections	80268	4428
<I/σ(I)>	12.3	1.8
Completeness [%]	99.5	99.9
Redundancy	7.4	7.5
CC(1/2)	0.977	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Protein 40mg/mL with 1.6% HECAMEG; reservoir solution 50mM KPi pH 6.8, 100mM NaCl, 3mM NaN3, 10-13% PEG4000