7ANB

A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9790
Spacegroup name	P 43 21 2
Unit cell lengths	81.268, 81.268, 383.735
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.930 - 2.600
Rwork	0.219
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	BT1624
RMSD bond length	0.004
RMSD bond angle	1.319
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.118	2.710
High resolution limit [Å]	2.600	2.600
Number of reflections	40144	4376
<I/σ(I)>	5.5
Completeness [%]	97.8
Redundancy	7.3
CC(1/2)	0.987	0.344

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	20 % PEG 3350, 0.2 M Sodium citrate, 25 mg/ml BT1622 and 10 mM LacNAc.