4KH9

Crystal structure of a DUF4785 family protein (lpg0956) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 at 2.00 A resolution

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-01-24
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1
Unit cell lengths	53.807, 62.975, 70.632
Unit cell angles	64.13, 82.94, 67.17

Refinement procedure

Resolution	45.537 - 2.000
R-factor	0.1951
Rwork	0.194
R-free	0.22070
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.537	45.540	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.043	0.011	0.655
Number of reflections	47483	997	6989
<I/σ(I)>	11.89	54.7	1.16
Completeness [%]	88.3	86.2	91.3
Redundancy	3.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.83	293	0.2M calcium acetate, 10.0% polyethylene glycol 8000, 0.1M Imidazole pH 7.83, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K