6E5Y

1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis in Complex with AMP.

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	2017-06-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 42 21 2
Unit cell lengths	97.287, 97.287, 93.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 1.500
R-factor	0.15575
Rwork	0.154
R-free	0.17856
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5us8
RMSD bond length	0.008
RMSD bond angle	1.341
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.065	0.826
Rmeas	0.072	0.908
Rpim	0.030	0.370
Number of reflections	72217	3525
<I/σ(I)>	24.3	2.2
Completeness [%]	99.9	99.9
Redundancy	5.8	5.8
CC(1/2)		0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	292	Protein: 12.0 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3), 0.01mM ATP, 0.1mM Magnesium chloride; Screen: Classics II (A3), 2M Ammonium sulfate, 0.1 Bis-Tris (pH 5.5); Cryo: Reservoir + 25% Ethylene glycol