4GC0

The structure of the MFS (major facilitator superfamily) proton:xylose symporter XylE bound to 6-bromo-6-deoxy-D-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9196
Spacegroup name	P 43 21 2
Unit cell lengths	95.171, 95.171, 171.668
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.123 - 2.600
R-factor	0.2281
Rwork	0.227
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gby
RMSD bond length	0.012
RMSD bond angle	1.324
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	24981
Completeness [%]	99.6	97.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.6	291	40 % (w/v) PEG400, 0.05 M Glycine pH 9.6 and 0.1 M LiCl , VAPOR DIFFUSION, HANGING DROP, temperature 291K