4U7J

Crystal structure of Argininosuccinate synthase from Mycobacterium thermoresistibile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-02
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 21 21 2
Unit cell lengths	93.940, 144.440, 57.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.668 - 1.750
R-factor	0.1473
Rwork	0.145
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kh1 modified with CCP4 program CHAINSAW
RMSD bond length	0.007
RMSD bond angle	1.045
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1756))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.057	0.022	0.528
Rmeas	0.062	0.024	0.578
Total number of observations	493282
Number of reflections	80159	992	5838
<I/σ(I)>	22.11	60.07	3.39
Completeness [%]	99.9	97.1	100
Redundancy	6.15		6.17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	RigakuReagents JCSG+ screen, D6: 20% PEG 8000, 200mM MgCl2, 100mM Tris/HCl pH 8.5; cryo 20% EG; MythA.00809.a.B1.PW37508 at 30.1mg/ml, tray 256225d6, puck zrb0-6