4GFP

2.7 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in a second conformational state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97850
Spacegroup name	P 64
Unit cell lengths	125.426, 125.426, 108.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.040 - 2.700
R-factor	0.22869
Rwork	0.227
R-free	0.26104
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3slh
RMSD bond length	0.012
RMSD bond angle	1.612
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.072	0.535
Number of reflections	27005
<I/σ(I)>	23.3	3.5
Completeness [%]	100.0	100
Redundancy	5.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	Protein solution: 7.5 mg/ml, 0.25 M NaCl, 0.01 M Tris-HCl pH 7.3, Screen solution: Classics D7 (Qiagen), 0.1 M HEPES pH 7.5, 4.3 M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 295K