9D44

Crystal structure of Co(II)-bound polysaccharide deacetylase from Bacteroides ovatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-22
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	69.177, 73.162, 95.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.470 - 1.420
R-factor	0.1607
Rwork	0.160
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.776
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.470	1.471
High resolution limit [Å]	1.420	1.420
Rmerge	0.112	1.342
Rpim	0.039	0.463
Number of reflections	91845	9050
<I/σ(I)>	16.37	2.46
Completeness [%]	99.9	100
Redundancy	9.2	9.3
CC(1/2)	0.998	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.17 M NaOAc, 0.1 M Tris pH 8.5, 15% glycerol, 27% PEG 4000, [Protein]=16.5 mg/mL