8GCQ

SFX structure of oxidized cytochrome c oxidase at 2.38 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	293
Detector technology	CCD
Collection date	2022-04-30
Detector	RAYONIX MX340-HS
Wavelength(s)	1.24
Spacegroup name	P 21 21 21
Unit cell lengths	178.600, 189.500, 211.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.000 - 2.380
Rwork	0.232
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.742
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.000	2.470
High resolution limit [Å]	2.380	2.380
Number of reflections	285036	270854
<I/σ(I)>	4.6
Completeness [%]	100.0
Redundancy	8864.9426
CC(1/2)	0.975	0.047

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	277	PEG4000, Sodium Phosphate, decylmaltoside