3C8W

Crystal structure of acetoacetate decarboxylase (ADC) (YP_094708.1) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 at 1.60 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97901
Spacegroup name	P 63
Unit cell lengths	104.100, 104.100, 189.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.683 - 1.600
R-factor	0.195
Rwork	0.193
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.716
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.683	29.683	1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.075	0.023	0.622
Number of reflections	142031	26005	20973
<I/σ(I)>	11.27	43.1	1.4
Completeness [%]	80.8	85	66.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	NANODROP, 0.5M (NH4)2SO4, 1.0M Li2SO4, 0.1M Citrate pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K