9DEU

Crystal structure of epoxyqueuosine reductase QueH in complex with queuosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	53.647, 105.194, 73.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.900 - 1.700
R-factor	0.2199
Rwork	0.219
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	1.422
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.900	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	22745	1901
<I/σ(I)>	24.86
Completeness [%]	97.7
Redundancy	11.6
CC(1/2)	0.999	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Bis-Tris, pH 5.5, 200 mM lithium sulfate monohydrate, 25% PEG3350, 10 mM CaCl2