5DJQ

The structure of CBB3 cytochrome oxidase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9918
Spacegroup name	P 21 21 2
Unit cell lengths	136.475, 279.933, 175.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.982 - 3.200
R-factor	0.1888
Rwork	0.187
R-free	0.22280
RMSD bond length	0.009
RMSD bond angle	2.355
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.982	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.162	0.830
Number of reflections	108344
<I/σ(I)>	11.4	2.4
Completeness [%]	98.5	99.9
Redundancy	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	20mM TRIS(HCL), 0.1 M NACL, 0.058% ALPHA-UDM, 0.0125% DECANOYLSUCROSE, 0.018% ALPHA-DDM, 0.016 M K3FE(CN)6,