9KHQ

Crystal structure of N-acyl homoserine lactonase AhlX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	P 42 21 2
Unit cell lengths	143.141, 143.141, 85.053
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 2.200
R-factor	0.166
Rwork	0.164
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.937
Data reduction software	XDS (v.1.04)
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.980	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.126	0.635
Number of reflections	45104	3861
<I/σ(I)>	11.1
Completeness [%]	99.7
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	25% w/v polyethylene glycol 3350, 0.1 M Bis-Tris (pH 5.5), and 0.246 M MgCl2