6XN1

Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	C 2 2 21
Unit cell lengths	65.431, 165.682, 159.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.739 - 1.800
R-factor	0.1746
Rwork	0.173
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mlg
RMSD bond length	0.010
RMSD bond angle	1.244
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.330	36.739	1.910
High resolution limit [Å]	1.800	5.380	1.800
Rmerge	0.056	0.035	0.589
Rmeas	0.062	0.038	0.717
Number of reflections	77797	3191	11412
<I/σ(I)>	16.74	45.44	1.87
Completeness [%]	97.1	99.1	89
Redundancy	4.966	6.223	2.878
CC(1/2)	0.999	0.999	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.2 M ammonium sulfate, 30% (w/v) Polietilenoglicol 8,000, 0,1 M sodium cacodylate pH 6,5 and 10 % glycerol