8DHK

Crystal structure of human Sulfide Quinone Oxidoreductase K207E

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	PIXEL
Collection date	2022-02-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	76.793, 111.298, 134.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.405 - 2.300
R-factor	0.1987
Rwork	0.197
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oi6
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.100	2.370
High resolution limit [Å]	2.300	2.300
Rmerge	0.154	1.404
Number of reflections	51811	4434
<I/σ(I)>	8
Completeness [%]	99.9
Redundancy	8.6
CC(1/2)	0.997	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M ADA pH 7, 34% PEG 400 and 0.3 M lithium sulfate monohydrate