6WH6

Crystal structure of human sulfide quinone oxidoreductase in complex with coenzyme Q (cyanide 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	2020-03-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.12723
Spacegroup name	P 21 21 21
Unit cell lengths	78.393, 111.746, 134.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.200 - 2.250
R-factor	0.1739
Rwork	0.172
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oib
RMSD bond length	0.008
RMSD bond angle	0.922
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.175	0.974
Number of reflections	57050	2696
<I/σ(I)>	14
Completeness [%]	99.7
Redundancy	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2M AMMONIUM TARTRATE DIBASIC, 20% PEG 3350