7ZGZ

Crystal structure of beta-xylosidase from Thermotoga maritima in complex with methyl-beta-D-xylopyranoside hydrolysed to xylose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	175
Detector technology	PIXEL
Collection date	2020-10-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 2
Unit cell lengths	178.580, 97.210, 99.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.923 - 1.850
Rwork	0.204
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jp0 5z9s 5yot 3u4a 5xxl
RMSD bond length	0.008
RMSD bond angle	1.477
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.923	1.880
High resolution limit [Å]	1.850	1.850
Number of reflections	147912	7190
<I/σ(I)>	67.8
Completeness [%]	99.6
Redundancy	13.1
CC(1/2)	0.999	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	293	3% polyethylene glycol 8000, 48% 2-methyl-2,4-pentanediol, 0.1 M sodium cacodylate pH 5.9