9D5T

Crystal structure of Cu(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	2022-10-20
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97648
Spacegroup name	P 21 21 21
Unit cell lengths	68.764, 73.183, 95.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.710 - 1.560
R-factor	0.1754
Rwork	0.175
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.853
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]	47.710	1.600
High resolution limit [Å]	1.560	1.560
Rmerge	0.117	1.119
Rpim	0.040	0.367
Number of reflections	68700	6770
<I/σ(I)>	15.25	2.24
Completeness [%]	99.3	99.5
Redundancy	9.6	10
CC(1/2)	0.998	0.817

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