3JZL

CRYSTAL STRUCTURE OF A PUTATIVE CYSTATHIONINE BETA-LYASE INVOLVED IN ALUMINUM RESISTANCE (LMOF2365_1314) FROM LISTERIA MONOCYTOGENES STR. 4B F2365 AT 1.91 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-15
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	C 2 2 21
Unit cell lengths	54.407, 153.173, 183.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.436 - 1.910
R-factor	0.211
Rwork	0.210
R-free	0.24100
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.691
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.436	39.436	1.980
High resolution limit [Å]	1.910	4.100	1.910
Rmerge	0.068	0.028	0.398
Number of reflections	58916	10951	8441
<I/σ(I)>	7.62	22.4	1.5
Completeness [%]	94.5	93.8	71.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	30.0000% polyethylene glycol 600, 5.0000% polyethylene glycol 1000, 10.0000% Glycerol, 0.1M MES pH 6.0, ADDITIVE: 0.001 M PYRIDOXAL-5'-PHOSPHATE, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K