4WV3

Crystal structure of the anthranilate CoA ligase AuaEII in complex with anthranoyl-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	50.054, 132.219, 160.118
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.812 - 2.599
R-factor	0.1771
Rwork	0.174
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eat
RMSD bond length	0.002
RMSD bond angle	0.666
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.812	2.690
High resolution limit [Å]	2.599	2.600
Number of reflections	33599
<I/σ(I)>	15.1	5.1
Completeness [%]	99.7	99.4
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.1 M sodium acetate, 0.1 M magensium acetate, 8% PEG 8000