6XNQ

Crystal Structure of Argininosuccinate synthase from Legionella pneumophila Philadelphia 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-08
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	122.990, 102.660, 147.660
Unit cell angles	90.00, 95.93, 90.00

Refinement procedure

Resolution	42.860 - 1.950
R-factor	0.1638
Rwork	0.163
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j20 as per Morda
RMSD bond length	0.007
RMSD bond angle	0.817
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.860	42.860	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.084	0.050	0.506
Rmeas	0.096	0.058	0.580
Total number of observations	560249
Number of reflections	132663	1528	9816
<I/σ(I)>	10.52	23.2	2.7
Completeness [%]	99.9	98.5	99.9
Redundancy	4.223	3.999	4.238
CC(1/2)	0.996	0.996	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	287	Rigaku Reagents JCSG+ screen, G8: 25% (w/V) PEG 3350, 200mM NaCl, 100mM BisTris / HCl pH 5.5: LepnA.00809.a.B1.PS38414 at 17.3mg/ml: tray 299030 g8: cryo 15%EG, puck rjp0-8