8X78

Crystal Structure of N-Acyl Homoserine Lactone Lactonase from Pseudomonas poae

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	2022-01-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	142.588, 87.671, 159.239
Unit cell angles	90.00, 115.79, 90.00

Refinement procedure

Resolution	39.960 - 2.360
R-factor	0.1689
Rwork	0.168
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHENIX (5.8.0123)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.880	2.480
High resolution limit [Å]	2.360	2.360
Rmerge	0.094
Rpim	0.042
Number of reflections	145724	21232
<I/σ(I)>	11.5	2.6
Completeness [%]	99.7
Redundancy	6.7
CC(1/2)	0.997	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.9	289	0.1 M BIS-TRIS propane pH 8.9, 24% w/v Polyethylene glycol 8,000