4W91

Crystal structure of a cysteine desulfurase SufS from Brucella suis bound to PLP

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	2013-08-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	89.850, 121.910, 133.720
Unit cell angles	111.49, 106.53, 89.81

Refinement procedure

Resolution	50.000 - 2.450
R-factor	0.23807
Rwork	0.237
R-free	0.25215
RMSD bond length	0.010
RMSD bond angle	1.328
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.500
High resolution limit [Å]	2.450	2.450
Rmerge	0.070	0.513
Number of reflections	178399
<I/σ(I)>	10.87	2.04
Completeness [%]	96.3	95.8
Redundancy	2.3	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	289	BrsuA.01104.a.B1.PS01850 at 25.1 mg/mL against JCSG+ screen condition D3, 0.2 M NaCl, 0.1 M NaK Phosphate pH 6.2, 50% PEG 200, crystal tracking ID 246776d3, unique puck ID thi5-2