5Z5D

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

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)	0.9120
Spacegroup name	P 43 21 2
Unit cell lengths	62.076, 62.076, 275.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.130 - 1.700
R-factor	0.1496
Rwork	0.148
R-free	0.17590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yif
RMSD bond length	0.012
RMSD bond angle	1.552
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]	46.133	46.133	1.790
High resolution limit [Å]	1.643	5.380	1.700
Rmerge		0.048	0.386
Rmeas	0.091	0.055	0.470
Rpim	0.042	0.025	0.262
Number of reflections	60040	2062	8505
<I/σ(I)>	12	10.1	2
Completeness [%]	99.0	95.6	97.6
Redundancy	4.2	4.1	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)), pH 7.0, 5% (w/v) PEG 6000