6OI6

Crystal structure of human Sulfide Quinone Oxidoreductase in complex with coenzyme Q (sulfide soaked)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.12713
Spacegroup name	P 21 21 21
Unit cell lengths	76.532, 111.959, 136.485
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.934 - 2.560
R-factor	0.2084
Rwork	0.205
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.996
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.980	2.600
High resolution limit [Å]	2.550	2.550
Rmerge	0.202	1.139
Rmeas	0.223
Rpim	0.095	0.522
Number of reflections	38478	1642
<I/σ(I)>	4.5
Completeness [%]	99.2
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2M ammonium tartrate dibasic, 20% PEG 3350