31LR

Crystal structure of Geobacillus thermodenitrificans YqeK in complex with a non-hydrolyzable Ap4A analog

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	73.790, 73.790, 99.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.610 - 1.400
R-factor	0.1425
Rwork	0.142
R-free	0.16480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.889
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]	46.260	1.480
High resolution limit [Å]	1.400	1.400
Number of reflections	54950	8734
<I/σ(I)>	18.7
Completeness [%]	100.0
Redundancy	26.26
CC(1/2)	0.998	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.4 M Potassium/Sodium tartrate