9KHO

Crystal structure of N-acyl homoserine lactonase AhlX mutant M41(E77I/D177G/T243Y/H255L)

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	2023-09-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97923
Spacegroup name	P 1 21 1
Unit cell lengths	78.098, 149.830, 80.184
Unit cell angles	90.00, 109.75, 90.00

Refinement procedure

Resolution	19.970 - 2.160
R-factor	0.1847
Rwork	0.184
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.882
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]	19.970	2.240
High resolution limit [Å]	2.160	2.160
Rmerge	0.083	0.083
Number of reflections	92605	92605
<I/σ(I)>	13.8
Completeness [%]	99.8
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.2 M sodium nitrate, 0.1 M Bis-Tris propane (pH 6.5), and 20% w/v polyethylene glycol 3350