24GG

Crystal structure of apo HpsK from Bilophila wadsworthia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	55.017, 87.806, 65.954
Unit cell angles	90.00, 108.84, 90.00

Refinement procedure

Resolution	35.936 - 2.006
Rwork	0.175
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.437
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.410	2.060
High resolution limit [Å]	2.010	2.010
Number of reflections	39014	2772
<I/σ(I)>	6.6
Completeness [%]	98.2
Redundancy	7.1
CC(1/2)	0.990	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG3350, Tris, pH 8.5, sodium chloride