9TVK

Structure of the Tetrapod Ancestor COQ8B in complex with ADP and 2Mn(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.8731281579802835
Spacegroup name	P 41 3 2
Unit cell lengths	150.488, 150.488, 150.488
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	106.411 - 2.398
Rwork	0.184
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.918
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.411	2.490
High resolution limit [Å]	2.398	2.400
Number of reflections	23456	2399
<I/σ(I)>	8.3
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	0.996	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	15 mg/ml protein and 0.09 M halogens mix (0.3 M sodium fluoride, 0.3 M sodium bromide, 0.3 M sodium iodide), 0.1 M buffer system 2 pH 7.5 (0.5 M sodium Hepes, 0.5 M bicine), 50% (v/v) precipitant mix 4 (25% (v/v) MPD, 25% (w/v) PEG 1000, 25% (w/v) PEG 3350)