4EZI

Crystal structure of a putative hydrolase (lpg1103) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 at 1.15 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-16
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	50.875, 63.488, 114.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.637 - 1.150
R-factor	0.1365
Rwork	0.135
R-free	0.15740
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.428
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.637	28.637	1.180
High resolution limit [Å]	1.150	5.150	1.150
Rmerge		0.084	0.787
Total number of observations		12111	45318
Number of reflections	131916
<I/σ(I)>	7.1	7.8	1
Completeness [%]	99.9	99	99.3
Redundancy	5.2	7.4	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.20M sodium acetate, 30.00% polyethylene glycol 4000, 0.1M tris hydrochloride pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K