4GHK

X-ray Crystal Structure of Gamma-glutamyl phosphate reductase from Burkholderia thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	85.410, 142.460, 154.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.398 - 2.250
R-factor	0.1828
Rwork	0.180
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ola
RMSD bond length	0.007
RMSD bond angle	1.039
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.093	0.023	0.551
Number of reflections	90052
<I/σ(I)>	13.59	45.03	2.65
Completeness [%]	99.8	96	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	40% PEG 300, 200 mM Calcium Acetate, 100 mM sodium cacodylate pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 289K