4KNA

Crystal structure of an N-succinylglutamate 5-semialdehyde dehydrogenase from Burkholderia thailandensis

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	2013-04-11
Detector	RAYONIX MX-300
Wavelength(s)	1.07811
Spacegroup name	C 1 2 1
Unit cell lengths	170.050, 120.690, 53.910
Unit cell angles	90.00, 107.36, 90.00

Refinement procedure

Resolution	49.260 - 1.950
R-factor	0.1544
Rwork	0.152
R-free	0.19210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.446
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.090	0.053	0.514
Number of reflections	75481	864	5590
<I/σ(I)>	13.09	25.63	3.44
Completeness [%]	99.8	98.4	99.8
Redundancy	6.3		6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	31 mg/mL ButhA.00020.d.B1.PS01757 against Morpheus screen condition A10: 10% PEG8000, 20% ethylene glycol, 0.03 M magnesium chloride, 0.03 M calcium chloride, 0.1 M bicine/Trizma, pH 8.5, crystal tracking ID 243761a10, unique puck ID pna1-4, VAPOR DIFFUSION, SITTING DROP, temperature 289K