6MO6

Crystal structure of the selenomethionine-substituted human sulfide:quinone oxidoreductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97918
Spacegroup name	P 61 2 2
Unit cell lengths	119.390, 119.390, 551.858
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.692 - 2.590
R-factor	0.1897
Rwork	0.187
R-free	0.24490
Structure solution method	SAD
Data reduction software	MOSFLM (7.2.0)
Data scaling software	Aimless (0.6.3)
Phasing software	SHELXCD
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.720	68.720	2.650
High resolution limit [Å]	2.590	12.420	2.590
Rmerge	0.251	0.067	1.655
Rmeas	0.253	0.068	1.666
Rpim	0.027	0.008	0.180
Number of reflections	68911	838	2776
<I/σ(I)>	22.9
Completeness [%]	93.7	99.5	60.5
Redundancy	85.7	73.4	81.8
CC(1/2)	0.998	0.999	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	500 uL reservoir of 20% (w/v) glycerol, 0.1 M sodium acetate trihydrate pH 4.6, 0.3-0.5 M ammonium acetate, 7-10% (w/v) PEG 4,000, 0.1% (w/v) 1,2-diheptanoyl-sn-glycero-3-phosphocholine (DHPC), 310 uM decylubiquinone (DCQ; stock in 10% (w/v) DHPC) and 10 mM sodium thiosulfate pentahydrate. To the coverslip; apply 1 uL aliquot of 10.66% (w/v) 1-Oleoyl-rac-glycerol (monoolein; stock in ethanol) and air dry for 3 minutes. Add 1uL enzyme followed by 1uL reservoir condition (no mixing).