7P24

Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3177_S1_11)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 1 21 1
Unit cell lengths	42.129, 69.780, 96.286
Unit cell angles	90.00, 97.64, 90.00

Refinement procedure

Resolution	35.856 - 0.970
Rwork	0.124
R-free	0.13620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g2v
RMSD bond length	0.008
RMSD bond angle	1.502
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.856	0.990
High resolution limit [Å]	0.970	0.970
Number of reflections	298423	12666
<I/σ(I)>	8.8	1.5
Completeness [%]	91.9
Redundancy	1.9
CC(1/2)	0.996	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20 mg/ml BT3177S1_11 with 10 mM 6S-GlcNAc crystallised in 50 % precipitant mix 1 (40% v/v PEG 500, MME; 20 % w/v PEG 20000), 0.1 M carboxcylic acids (0.2M Sodium formate; 0.2M Ammonium acetate; 0.2M Sodium citrate tribasic dihydrate; 0.2M Sodium potassium tartrate tetrahydrate; 0.2M Sodium oxamate) and 0.1 M buffer system 3 pH 8.5 (Tris (base); BICINE).