5NMI

Cytochrome bc1 bound to the inhibitor MJM170

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9860
Spacegroup name	P 65
Unit cell lengths	129.477, 129.477, 720.294
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.740 - 3.500
R-factor	0.24919
Rwork	0.248
R-free	0.26834
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.243
Data reduction software	iMOSFLM
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.210	3.560
High resolution limit [Å]	3.500	3.500
Rpim	0.228	0.818
Number of reflections	85101	4456
<I/σ(I)>	5	1.4
Completeness [%]	99.6	99.7
Redundancy	9.2	9.2
CC(1/2)	0.940	0.246

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	277	10 % PEG4000, HECAMEG