7OQD

A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-29
Detector	Bruker PHOTON III
Wavelength(s)	1.34
Spacegroup name	P 21 21 21
Unit cell lengths	76.175, 79.196, 91.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.520 - 2.300
Rwork	0.238
R-free	0.28840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7an1
RMSD bond length	0.008
RMSD bond angle	1.533
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.523	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	24826	2444
<I/σ(I)>	4.8	1.6
Completeness [%]	98.8
Redundancy	4
CC(1/2)	0.968	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	40 % MPD, 0.1 M sodium cacodylate with a protein concentration of 20 mg/ml and the ligand concentration (3S-LewisA) of 20 mM.