8BDQ

Crystal structure of Bacteroides ovatus CP926 PL38 alginate lyase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976254
Spacegroup name	C 1 2 1
Unit cell lengths	196.700, 88.090, 144.000
Unit cell angles	90.00, 120.06, 90.00

Refinement procedure

Resolution	48.120 - 2.110
R-factor	0.2555
Rwork	0.255
R-free	0.28110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold2
RMSD bond length	0.003
RMSD bond angle	0.565
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (8.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	2.240
High resolution limit [Å]	2.110	2.110
Number of reflections	121042	19034
<I/σ(I)>	7.5
Completeness [%]	99.0
Redundancy	3.89
CC(1/2)	0.990	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2 M ammonium sulfate, 0.1 M BIS-TRIS pH 5.5 and 25% (w/v) polyethylene glycol 3350.