4ATY

Crystal structure of a Terephthalate 1,2-cis-dihydrodioldehydrogenase from Burkholderia xenovorans LB400

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	287
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	44.620, 76.190, 197.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.790 - 1.850
R-factor	0.21327
Rwork	0.210
R-free	0.26572
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.024
RMSD bond angle	2.235
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.850
Rmerge	0.010
Number of reflections	29242
<I/σ(I)>	10.1
Completeness [%]	99.7
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1