24GD

Crystal structure of apo HpsK from Ruegeria pomeroyi, Crystal form 2

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	2025-04-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	54.849, 126.101, 58.834
Unit cell angles	90.00, 117.29, 90.00

Refinement procedure

Resolution	48.792 - 1.897
Rwork	0.159
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.461
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]	48.792	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	55825	3452
<I/σ(I)>	11.5
Completeness [%]	99.6
Redundancy	3.5
CC(1/2)	1.000	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG3350, Bis-Tris, ammonium sulfate