8TCD

Structure of 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	47.574, 112.608, 209.335
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.390 - 1.900
R-factor	0.19258
Rwork	0.191
R-free	0.22836
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.610
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]	47.570	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.163	1.954
Rmeas	0.177	2.145
Rpim	0.070	0.876
Total number of observations	577872	26884
Number of reflections	89795	4511
<I/σ(I)>	9.7	1.1
Completeness [%]	99.9
Redundancy	6.4	6
CC(1/2)	0.996	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.27 M Ammonium Chloride 17% PEG 6000 0.1 M Sodium Acetate pH 5