7T24

Crystal Structure of Adenylosuccinate lyase (ASL) from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.1271
Spacegroup name	I 2 2 2
Unit cell lengths	66.560, 96.550, 137.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.280 - 1.450
R-factor	0.1519
Rwork	0.151
R-free	0.18200
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20rc3-4406)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.280	33.280	1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.090	0.066	0.537
Rmeas	0.098	0.072	0.648
Total number of observations	483651
Number of reflections	77812	972	5155
<I/σ(I)>	11.55	23.97	2.2
Completeness [%]	98.9	98.8	89.7
Redundancy	6.216	6.515	3.129
CC(1/2)	0.996	0.994	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	PsaeA.17999.a.B1.PW38913 at 19 mg/ml, Native data: mixed 1:1 with Morpheus(d4): 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.1 M MES/imidazole pH 6.5, 0.02 M each of 1,6-hexanediol, 1-butanol, (RS)-1,2-propanediol, 2-propanol, 1,4-butanediol, 0.2 M 1,3-propanediol. Puck: qog3-8, barcode: 319675d4. Anomalous data: mixed 1:1 with Morpheus(H12): 12.5% (w/v) PEG-1000, 12.5% (w/v) PEG-3350, 12.5% (v/v) MPD, 0.1 M bicine/Trizma base, pH=8.5, 0.02 M each sodium L-glutamate, DL-alanine, glycine, DL-lysine HCl, DL-serine. Preformed crystal then soaked 20 sec with 500 mM sodium iodide and 10% ethylene glycol. Puck: kdy1-11, barcode: 319672h12.