7COH

Dimeric Form of Bovine Heart Cytochrome c Oxidase in the Fully Oxidized State

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	60
Detector technology	CCD
Collection date	2012-06-29
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	181.998, 204.193, 177.759
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.300
R-factor	0.1496
Rwork	0.148
R-free	0.17040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b1a
RMSD bond length	0.021
RMSD bond angle	2.270
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	1.310
High resolution limit [Å]	1.300	1.300
Rpim	0.030	0.940
Number of reflections	1596005	39643
<I/σ(I)>	39.7
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	277	40 mM sodium phosphate pH 6.8, 0.2% decylmaltoside, 1% polyethylene glycol 4000, 2% ethylene glycol