4JA4

Inward open conformation of the xylose transporter XylE from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.937
Spacegroup name	P 61
Unit cell lengths	125.820, 125.820, 380.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.184 - 4.200
R-factor	0.2905
Rwork	0.288
R-free	0.31780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.699
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.200	4.310
High resolution limit [Å]	4.200	4.200
Rmerge	0.086
Number of reflections	17942
Completeness [%]	72.4	24.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	40% PEG 400, 500 mM NaCl, 2 mM CdCl2, 100 mM MES , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K