6S20

Metabolism of multiple glycosaminoglycans by bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus (BT33336S-sulf)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	173
Detector technology	PIXEL
Collection date	2019-01-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	86.400, 86.400, 122.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.650 - 1.980
R-factor	0.18249
Rwork	0.180
R-free	0.22364
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.531
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.650	2.030
High resolution limit [Å]	1.980	1.980
Number of reflections	32979	2253
<I/σ(I)>	11
Completeness [%]	100.0
Redundancy	14.2
CC(1/2)	0.998	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30 % PEG 4000, 200 mM MgCl2, and 0.1 M Tris, pH 8.5. 20m/gml protein and 10 mM GlaNAc6S