4PMZ

Crystal structure of GH10 endo-b-1,4-xylanase (XynB) from Xanthomonas axonopodis pv citri complexed with xylobiose

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	CCD
Collection date	2013-11-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.45
Spacegroup name	P 1 21 1
Unit cell lengths	72.056, 49.238, 83.035
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.350 - 1.401
R-factor	0.1761
Rwork	0.174
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pmx
RMSD bond length	0.005
RMSD bond angle	0.999
Data reduction software	XDS
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.400		1.490
High resolution limit [Å]	1.400	4.180	1.400
Rmerge	0.054	0.016	0.540
Rmeas	0.072	0.022	0.730
Total number of observations	438738
Number of reflections	206127	8256	33147
<I/σ(I)>	10.86	42.65	1.66
Completeness [%]	91.9	98.1	91.4
Redundancy	2.18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Polyethylene glycol 8,000