4PMU

Crystal structure of a novel reducing-end xylose-releasing exo-oligoxylanase (XynA) belonging to GH10 family (space group P1211)

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 1 21 1
Unit cell lengths	87.022, 100.741, 134.199
Unit cell angles	90.00, 95.15, 90.00

Refinement procedure

Resolution	41.150 - 2.857
R-factor	0.2133
Rwork	0.211
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cnc
RMSD bond length	0.005
RMSD bond angle	0.944
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	2.920
High resolution limit [Å]	2.857	7.780	2.857
Rmerge	0.150	0.058	0.610
Total number of observations	152136
Number of reflections	52305
<I/σ(I)>	5.8
Completeness [%]	97.7	96.8	95.9
Redundancy	2.9	3.1	2.6

Crystallization Conditions

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