4G6Z

Crystal structure of a glutamyl-tRNA synthetase GluRS from Burkholderia thailandensis bound to L-glutamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.977408
Spacegroup name	P 41 21 2
Unit cell lengths	88.950, 88.950, 132.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.620 - 2.050
R-factor	0.2012
Rwork	0.199
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cfo
RMSD bond length	0.011
RMSD bond angle	1.427
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.065	0.505
Number of reflections	34013
<I/σ(I)>	24.91	4.69
Completeness [%]	100.0	100
Redundancy	9.5	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	ButhA.01187.a.A1 PS01190 at 25 mg/mL against Morpheus screen condition H4, 0.1 M MES/immidazole, 12.5% PEG 1000, 12.5% PEG 3350, 12.5% MPD, 0.02 M L-glutamate, alanine, lysine, serine, glycine, crystal tracking ID 233960h4, unique puck ID xgv5-8, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K