9IKG

Bovine Heart Cytochrome c Oxidase in the Carbon Dioxide-bound Fully Reduced 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	2024-04-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	182.700, 205.100, 177.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.850
R-factor	0.13495
Rwork	0.133
R-free	0.17028
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8r8s
RMSD bond length	0.015
RMSD bond angle	1.872
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	1.900
High resolution limit [Å]	1.850	1.850
Rmeas	0.117	2.430
Number of reflections	1100575	81449
<I/σ(I)>	15.7	1.31
Completeness [%]	100.0	100
Redundancy	17.7	16.4
CC(1/2)	0.999	0.741

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