7THU

Structure of reduced bovine cytochrome c oxidase at 1.93 Angstrom resolution obtained by synchrotron X-rays

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	178.182, 182.282, 208.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.003 - 1.930
Rwork	0.184
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyr
RMSD bond length	0.018
RMSD bond angle	1.809
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.003	2.030
High resolution limit [Å]	1.930	1.930
Number of reflections	500705	72908
<I/σ(I)>	12.6	1
Completeness [%]	99.2
Redundancy	6.8
CC(1/2)	0.999	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	277	PEG 4000, Postassium phosphate, Decylmaltoside