5IY5

Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-03
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	113.290, 183.872, 148.929
Unit cell angles	90.00, 102.12, 90.00

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.1686
Rwork	0.167
R-free	0.20740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2DYR and 1HRC
RMSD bond length	0.026
RMSD bond angle	2.205
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0048)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	2.000	6.830	2.000
Rmerge	0.096	0.061
Rmeas	0.105	0.066
Rpim	0.044	0.025	0.599
Total number of observations	1960373
Number of reflections	397399
<I/σ(I)>	8.8
Completeness [%]	99.5	99.3	99.5
Redundancy	4.9	7.3	3.7
CC(1/2)		0.996	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8	277	15mM sodium phosphate, pH 8.0, 0.7% fluorinated octylmaltoside, 0.2% decylmaltoside, 3% ethylene glycol, 5% PEG 4000