4I1O

Crystal structure of the Legionella pneumophila GAP domain of LepB in complex with Rab1b bound to GDP and BeF3

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	2012-10-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 31
Unit cell lengths	124.410, 124.410, 147.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.157 - 2.701
R-factor	0.2191
Rwork	0.217
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3NKV AND 4I1M
RMSD bond length	0.014
RMSD bond angle	1.057
Data scaling software	XSCALE
Phasing software	PHASER (MR)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.157	49.157	2.800
High resolution limit [Å]	2.700	20.000	2.700
Rmerge	0.094	0.041	0.717
Number of reflections	70034
<I/σ(I)>	19.47	58.06	3.67
Completeness [%]	100.0	100	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	0.1 M sodium cacodylate, pH 6.4, 0.2 M magnesium chloride, 17% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K