7TIH

Structure of oxidized bovine cytochrome c oxidase with reduced metal centers induced by synchrotron X-ray exposure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	178.037, 182.696, 205.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.339 - 2.350
Rwork	0.193
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7tie
RMSD bond length	0.009
RMSD bond angle	1.618
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.339	2.480
High resolution limit [Å]	2.350	2.350
Number of reflections	277487	40279
<I/σ(I)>	6.7	1
Completeness [%]	99.9
Redundancy	6.9
CC(1/2)	0.993	0.456

Crystallization Conditions

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