5I35

Structure of the Human mitochondrial kinase COQ8A R611K with AMPPNP (Cerebellar Ataxia and Ubiquinone Deficiency Through Loss of Unorthodox Kinase Activity)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-13
Detector	RAYONIX MX-300
Wavelength(s)	0.96862
Spacegroup name	C 1 2 1
Unit cell lengths	150.050, 59.120, 51.000
Unit cell angles	90.00, 97.69, 90.00

Refinement procedure

Resolution	44.670 - 2.300
R-factor	0.18952
Rwork	0.183
R-free	0.25887
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	2.152
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.087	1.232
Number of reflections	19840
<I/σ(I)>	12.5	1.65
Completeness [%]	100.0	100
Redundancy	7.37	7.61
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	One part of ADCK3 R611K, 0.2 mM, AMPPNP 2 mM, MgCl2, 4mM, mixed with an equal volume of sodium polyacrylate 5100, 26%; magnesium chloride, 20 mM; HEPES, 100 mM, pH 7.5