2YEV

Structure of caa3-type cytochrome oxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-17
Detector	MARRESEARCH
Spacegroup name	I 1 2 1
Unit cell lengths	127.250, 76.030, 300.267
Unit cell angles	90.00, 92.21, 90.00

Refinement procedure

Resolution	77.179 - 2.360
R-factor	0.1736
Rwork	0.171
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2occ
RMSD bond length	0.006
RMSD bond angle	1.084
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.480	2.490
High resolution limit [Å]	2.360	2.360
Rmerge	0.160	0.980
Number of reflections	118251
<I/σ(I)>	9.5	2.3
Completeness [%]	100.0	100
Redundancy	8.4	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5		16-21% PEG 400, 0.1 M NA CITRATE PH 4.5-5.0, 0-0.1 M LITHIUM SULPHATE, 0.1 M NACL. CRYSTALLISED USING THE LIPIDIC CUBIC PHASE USING 7.7 MAG AS THE HOSTING LIPID.
1	LIPIDIC CUBIC PHASE	5		16-21% PEG 400, 0.1 M NA CITRATE PH 4.5-5.0, 0-0.1 M LITHIUM SULPHATE, 0.1 M NACL. CRYSTALLISED USING THE LIPIDIC CUBIC PHASE USING 7.7 MAG AS THE HOSTING LIPID.