31LP

Crystal structure of Geobacillus thermodenitrificans YqeK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-02-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	P 41 21 2
Unit cell lengths	73.130, 73.130, 95.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.570 - 1.650
R-factor	0.1796
Rwork	0.178
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.742
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.520	1.750
High resolution limit [Å]	1.650	1.650
Number of reflections	31989	5087
<I/σ(I)>	19.14
Completeness [%]	100.0
Redundancy	27.27
CC(1/2)	0.999	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M Sodium/Potassium phosphate 2.5 M Sodium chloride