5KEU

Crystal Structure of a 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	2016-04-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	108.270, 133.130, 55.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.061 - 1.850
R-factor	0.1513
Rwork	0.151
R-free	0.17820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hsx
RMSD bond length	0.007
RMSD bond angle	0.929
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.061	0.022	0.458
Number of reflections	69151
<I/σ(I)>	21.3	59.99	3.59
Completeness [%]	99.9	95.8	99.9
Redundancy	6.2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	BuxeA.00024.c.B1.PS02531 at 10.4 mg/ml, protein mixed 1:1 and incubated with an equal volume JCSG+(a5): 20% (w/v) PEG-3350, 200 mM magnesium formate, and cryoprotected with 20% ethylene glycol in two steps