9D86

Crystal structure of epoxyqueuosine reductase QueH C9S mutant from Thermotoga maritima

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	2022-12-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03321
Spacegroup name	C 2 2 21
Unit cell lengths	52.742, 104.970, 73.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.150 - 1.880
R-factor	0.2077
Rwork	0.206
R-free	0.25340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.026
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.150	1.951
High resolution limit [Å]	1.880	1.880
Number of reflections	16852	1608
<I/σ(I)>	12.51
Completeness [%]	99.7
Redundancy	12.6
CC(1/2)	0.998	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris-HCl pH5.5, 0.2 M lithium sulfate monohydrate, 25% (w/v) polyethylene glycerol (PEG) 3350, 10 mM CaCl2