9KB1

The Structure of the Carbohydrate Deacetylase PpOngB from Pseudoalteromonas prydzensis ACAM 620.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	87.597, 87.597, 143.319
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.400 - 1.770
Rwork	0.172
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.17)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.860	1.870
High resolution limit [Å]	1.770	1.770
Rmerge	0.126
Number of reflections	62529	71795
<I/σ(I)>	16.6
Completeness [%]	100.0
Redundancy	1
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.5 M ammonium sulfate, 0.1 M sodium citrate tribasic dihydrate (pH 6.0) and 1.0 M lithium sulfate monohydrate