36EZ

Crystal structure of thiocyanate bound bovine cytochrome c oxidase

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	2022-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	2.06641
Spacegroup name	P 21 21 21
Unit cell lengths	178.316, 185.058, 208.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.002 - 2.388
Rwork	0.187
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.672
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	138.398	2.666
High resolution limit [Å]	2.388	2.388
Rmerge	0.138	1.405
Number of reflections	178585	8929
<I/σ(I)>	14.7
Completeness [%]	95.6
Redundancy	13.1
CC(1/2)	0.998	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	277	PEG4000, Potassium phosphate, Decylmaltoside