3LWS

Crystal structure of Putative aromatic amino acid beta-eliminating lyase/threonine aldolase. (YP_001813866.1) from Exiguobacterium sp. 255-15 at 2.00 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-06
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 31
Unit cell lengths	142.150, 142.150, 102.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.530 - 2.000
R-factor	0.146
Rwork	0.144
R-free	0.19000
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.543
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.530	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.158	0.950
Number of reflections	156755
<I/σ(I)>	9.92	2.3
Completeness [%]	99.9	99.9
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	277	0.2000M Mg(oAc)2, 20.0000% PEG-8000, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K