9VDJ

Serial synchrotron crystallography structure of a ba3-type cytochrome c oxidase using a goniometer-compatible chip-based platform

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-11-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	145.850, 100.320, 96.620
Unit cell angles	90.00, 126.76, 90.00

Refinement procedure

Resolution	32.150 - 2.300
R-factor	0.2118
Rwork	0.209
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.275
Data reduction software	CrystFEL (version 9.0)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.200	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	49573	4925
<I/σ(I)>	3.07
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.853	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1M MES (pH 5.3), 1.4M NaCl, 39-41% PEG 400