9KUM

Bovine Heart Cytochrome c Oxidase in the Xenon-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	2024-10-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	182.500, 204.700, 177.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.800
R-factor	0.13357
Rwork	0.132
R-free	0.16873
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8h8s
RMSD bond length	0.016
RMSD bond angle	1.938
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	1.850
High resolution limit [Å]	1.800	1.800
Rmeas	0.067	2.340
Number of reflections	1192569	88326
<I/σ(I)>	28.6	1.7
Completeness [%]	100.0	100
Redundancy	21.2	20
CC(1/2)	1.000	0.788

Crystallization Conditions

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