7ZDY

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

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	178.620, 97.680, 100.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.250 - 1.460
Rwork	0.172
R-free	0.19090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jp0 5z9s 5yot 3u4a 5xxl
RMSD bond length	0.011
RMSD bond angle	1.743
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.250	1.490
High resolution limit [Å]	1.460	1.460
Number of reflections	302573	14737
<I/σ(I)>	64.2
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)	1.000	0.331

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