6J8M

Low-dose structure of bovine heart cytochrome c oxidase in the fully oxidized state determined using 30 keV X-ray

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-08
Detector	DECTRIS PILATUS3 X CdTe 300K
Wavelength(s)	0.4133
Spacegroup name	P 21 21 21
Unit cell lengths	182.020, 203.540, 177.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.900
R-factor	0.1735
Rwork	0.172
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b1b
RMSD bond length	0.014
RMSD bond angle	1.659
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.8.0048)
Refinement software	REFMAC (5.8.0048)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.099	0.065	0.973
Rmeas	0.110	0.070	1.116
Rpim	0.047	0.026	0.535
Number of reflections	503312	52522	49048
<I/σ(I)>	8.1	23.3	1.4
Completeness [%]	98.1	99.87	96.33
Redundancy	4.9	6.98	4.23
CC(1/2)	0.994	0.994	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.8	277	PEG 4000