9TVN

Structure of the Tetrapod Ancestor COQ8A in complex with AMP-PNP and 2Mn(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-29
Detector	DECTRIS PILATUS4 XE 4M
Wavelength(s)	0.96546
Spacegroup name	P 21 21 21
Unit cell lengths	56.456, 80.258, 87.504
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.219 - 2.100
Rwork	0.186
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.812
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.220	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.152	1.166
Rmeas	0.166	1.271
Rpim	0.065	0.501
Total number of observations		12229
Number of reflections	154277	1920
<I/σ(I)>	10.6	1.8
Completeness [%]	100.0
Redundancy	6.5	6.4
CC(1/2)	0.996	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	10 mg/ml protein and 0.12 M monosaccharides mix (0.2 M D-glucose, 0.2 M D-mannose, 0.2 M D-galactose, 0.2 M L-fucose, 0.2 M D-xylose, 0.2 M N-acetyl-D-glucosamine), 0.1 M buffer system 1 pH 6.5 (0.5 M imidazole, 0.5 M MES monohydrate acid), 50% (v/v) precipitant mix 2 (40% (v/v) ethylene glycol, 20% (w/v) PEG 8000)