9GGJ

Crystal structure of argininosuccinate lyase from Arabidopsis thaliana (AtASL) in complex with biological substrate and products - argininosuccinate, argnine and fumarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	106.588, 230.848, 112.534
Unit cell angles	90.00, 89.48, 90.00

Refinement procedure

Resolution	49.570 - 2.000
R-factor	0.17583
Rwork	0.175
R-free	0.22689
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.751
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.573	2.114
High resolution limit [Å]	2.000	2.000
Rmerge	0.206	0.832
Rpim	0.116	0.459
Number of reflections	260782	13043
<I/σ(I)>	4.25	1.8
Completeness [%]	90.4	70.11
Redundancy	4.25
CC(1/2)	0.986	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	2.0M Ammonium sulfate, pH 5.5 0.1 M Bis-TRIS, crystal soaked for 20 minutes in 20mM solution of argininosuccinate in mother liquor and 25% (v/v) glycerol