9D60

Crystal structure of Zn(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	2023-05-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	69.295, 73.112, 95.385
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.690 - 1.360
R-factor	0.1653
Rwork	0.165
R-free	0.17680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.882
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]	47.690	1.400
High resolution limit [Å]	1.360	1.360
Rmerge	0.041	0.186
Rpim	0.013	0.058
Number of reflections	1082788	9259
<I/σ(I)>	35.5	11.54
Completeness [%]	96.1	90.11
Redundancy	10.8	11.1
CC(1/2)	1.000	0.987

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, 25.5% PEG 4000, [Protein]=16.5 mg/mL