5Z5I

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-27
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9334
Spacegroup name	P 43 21 2
Unit cell lengths	59.816, 59.816, 277.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.850 - 1.700
R-factor	0.1608
Rwork	0.159
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yif
RMSD bond length	0.011
RMSD bond angle	1.440
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]	41.937	46.312	1.790
High resolution limit [Å]	1.695	5.360	1.700
Rmerge		0.044	0.273
Rmeas	0.077	0.048	0.303
Rpim	0.028	0.018	0.128
Number of reflections	57020	2090	7628
<I/σ(I)>	17.7	14.4	2.6
Completeness [%]	99.0	99.4	93.1
Redundancy	7.5	6.8	5.3

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