8H8R

Bovine Heart Cytochrome c Oxidase in the Calcium-bound 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]	90
Detector technology	PIXEL
Collection date	2018-06-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	182.800, 205.700, 177.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.700
R-factor	0.12419
Rwork	0.123
R-free	0.15306
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7coh
RMSD bond length	0.016
RMSD bond angle	1.841
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	1.740
High resolution limit [Å]	1.700	1.700
Rmeas	0.085	1.380
Number of reflections	691219	104230
<I/σ(I)>	14.1	1.6
Completeness [%]	99.8	97.9
Redundancy	8.7	8.4
CC(1/2)	0.997	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	277	40 mM sodium phosphate buffer, pH 6.8 0.2% (w/v) decyl-maltoside 1% (w/v) polyethylene glycol 4000