8TCR

Structure of glucose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1

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)	1.1808
Spacegroup name	P 21 21 21
Unit cell lengths	47.517, 113.679, 208.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 2.080
R-factor	0.18429
Rwork	0.182
R-free	0.22898
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.694
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]	47.400	2.130
High resolution limit [Å]	2.080	2.080
Rmerge	0.060	0.530
Rmeas	0.085	0.749
Rpim	0.060	0.530
Total number of observations	130468	8537
Number of reflections	68867	4460
<I/σ(I)>	8.9	1.5
Completeness [%]	99.8
Redundancy	1.9	1.9
CC(1/2)	0.997	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG 1500 0.13 M MIB pH 5