3PFE

Crystal structure of a M20A metallo peptidase (dapE, lpg0809) from Legionella pneumophila subsp. pneumophila str. philadelphia 1 at 1.50 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	2010-05-25
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 2
Unit cell lengths	59.388, 178.600, 50.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.767 - 1.500
R-factor	0.1389
Rwork	0.138
R-free	0.16300
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.578
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.767	29.767	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge		0.064	0.772
Total number of observations		4838	31065
Number of reflections	87563
<I/σ(I)>	8.5	9.7	1
Completeness [%]	100.0	98.9	100
Redundancy	4.9	4.3	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	20.00% polyethylene glycol 6000, 1.00M lithium chloride, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K