4PMV

Crystal structure of a novel reducing-end xylose-releasing exo-oligoxylanase (XynA) belonging to GH10 family (space group P43212)

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	2013-11-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.45
Spacegroup name	P 43 21 2
Unit cell lengths	78.819, 78.819, 303.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.140 - 3.001
R-factor	0.2269
Rwork	0.226
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pmu
RMSD bond length	0.005
RMSD bond angle	0.922
Data reduction software	HKL-2000
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.160	0.045	0.704
Total number of observations	205646
Number of reflections	19710
<I/σ(I)>	5.3
Completeness [%]	97.4	100	99
Redundancy	10.4	10.9	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Polyethylene glycol 6000