5Z5H

Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 in complex with D-xylose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9300
Spacegroup name	P 43 21 2
Unit cell lengths	62.453, 62.453, 276.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.350 - 1.900
R-factor	0.2183
Rwork	0.216
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yif
RMSD bond length	0.011
RMSD bond angle	1.448
Data reduction software	COMBAT
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.354	46.354	2.000
High resolution limit [Å]	1.825	6.010	1.900
Rmerge		0.033	0.297
Rmeas	0.102	0.039	0.361
Rpim	0.054	0.021	0.199
Number of reflections	44217	1551	6152
<I/σ(I)>	8.6	9.6	1.7
Completeness [%]	99.1	95.3	96.7
Redundancy	3.4	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	283	0.1M HEPES (N-(2-hydroxyethyl)piperazine-N-(2-ethanesulfonic acid)) buffer, pH 7.0, 5% (w/v) PEG 6000