8TCT

Structure of 3K-GlcH bound Bacteroides thetaiotaomicron 3-Keto-beta-glucopyranoside-1,2-Lyase BT1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1807
Spacegroup name	P 32 2 1
Unit cell lengths	122.287, 122.287, 68.747
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.690 - 1.860
Rwork	0.168
R-free	0.18290
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.690	1.930
High resolution limit [Å]	1.860	1.860
Rmerge	0.081	2.902
Rmeas	0.085	3.056
Rpim	0.026	0.951
Number of reflections	49947	4903
<I/σ(I)>	26.9
Completeness [%]	99.9
Redundancy	19.9	20
CC(1/2)	1.000	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	27% PEG 300 0.11 M Phosphate Citrate pH 4.2