4Q1T

Crystal structure of a glutamate 5-kinase 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	2012-02-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	151.850, 69.150, 141.680
Unit cell angles	90.00, 119.51, 90.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.2205
Rwork	0.219
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j5t
RMSD bond length	0.010
RMSD bond angle	1.314
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.069	0.050	0.491
Number of reflections	69634	796	5104
<I/σ(I)>	13.25	26.68	2.81
Completeness [%]	99.6	93	99.9
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	ButhA.00483.a.A1.PW33346 at 40 mg/mL against PACT screen condition F7, 0.2 M NaOAc, 0.1 M BisTris Propane pH 6.5, 20% PEG 3350 supplemented with 20% ethylene glycol as cryo-protectant, crystal tracking ID 226003f7, unique puck ID gzd6-4, VAPOR DIFFUSION, SITTING DROP, temperature 289K