5HSX

Crystal Structure of a Putative Alpha-ketoglutarate-dependent Taurine Dioxygenase from Burkholderia xenovorans

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	2015-12-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	109.190, 132.600, 55.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.098 - 1.800
R-factor	0.1558
Rwork	0.155
R-free	0.18080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gy9
RMSD bond length	0.006
RMSD bond angle	0.849
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.058	0.024	0.487
Rmeas	0.062	0.026	0.523
Total number of observations	554951
Number of reflections	75552	943	5517
<I/σ(I)>	21.52	51.05	3.79
Completeness [%]	99.9	97.1	100
Redundancy	7.3		7.4
CC(1/2)	0.999	0.999	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	BuxeA.00024.i.B1.PS02500 at 24.3 mg/ml, protein was mixed 1:1 with JCSG+(b8): 10% (w/v) PEG-8000, 100 mM Tris base/HCl, pH = 7.0, 200 mM MgCl2, cryoprotected with 20% ethylene glycol