4I1M

Crystal structure of the Legionella pneumophila GAP domain of LepB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 42 21 2
Unit cell lengths	152.700, 152.700, 129.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.831 - 2.804
R-factor	0.2015
Rwork	0.200
R-free	0.23800
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.676
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE (2.13)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.831		2.870
High resolution limit [Å]	2.800	12.520	2.800
Rmerge	0.081	0.031	0.737
Number of reflections	38042	499	2773
<I/σ(I)>	24.36	66.89	3.51
Completeness [%]	100.0	97.8	100
Redundancy	13.29

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M Bicine, pH 7.5, 0.75 M lithium chloride, 6% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M Bicine, pH 7.5, 0.75 M lithium chloride, 6% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 293K