9NZB

Crystal Structure of acyl-CoA lyase subunit beta from Pseudomonas aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-20
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	64.828, 198.038, 65.351
Unit cell angles	90.00, 91.33, 90.00

Refinement procedure

Resolution	29.480 - 1.850
R-factor	0.17416
Rwork	0.172
R-free	0.20888
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.587
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.077	0.703
Rmeas	0.095	0.876
Rpim	0.054	0.517
Number of reflections	134881	5212
<I/σ(I)>	12.6	2
Completeness [%]	95.0	73.4
Redundancy	2.9	2.6
CC(1/2)	0.992	0.445

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	Protein: 18.0 mg/ml, 0.15M Sodium chloride, 0.01M Tris-HCl (pH 8.0); Screen: Classics II (G1), 0.2M Sodium chloride, 0.1M Tris (pH 8.5), 25% (w/v) PEG 3350; Cryo: Reservoir.