9DCO

Crystal structure of epoxyqueuosine reductase QueH D13N mutant from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 21 2 21
Unit cell lengths	38.868, 40.133, 120.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.360 - 2.110
R-factor	0.2396
Rwork	0.236
R-free	0.30840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.027
RMSD bond angle	1.990
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]	28.360	2.185
High resolution limit [Å]	2.110	2.110
Number of reflections	11404	1097
<I/σ(I)>	6.65
Completeness [%]	99.7
Redundancy	6.8
CC(1/2)	0.994	0.689

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