6XN2

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

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	63.593, 165.874, 158.756
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.410 - 1.652
R-factor	0.1779
Rwork	0.177
R-free	0.20080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mlg
RMSD bond length	0.021
RMSD bond angle	1.495
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]	29.413	29.413	1.750
High resolution limit [Å]	1.650	4.930	1.650
Rmerge	0.051	0.035	0.505
Rmeas	0.057	0.038	0.621
Number of reflections	63992	3977	5338
<I/σ(I)>	16.58	42.11	1.23
Completeness [%]	63.6	98.9	33.2
Redundancy	4.343	6.287	2.108
CC(1/2)	0.998	0.998	0.745

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