9EGA

Crystal Structure of a CE20 carbohydrate acetylesterase from Pedobacter psychrotolerans (PpCE20_II), with ancillary domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.977
Spacegroup name	P 1 21 1
Unit cell lengths	56.134, 125.135, 108.688
Unit cell angles	90.00, 104.71, 90.00

Refinement procedure

Resolution	49.720 - 1.350
R-factor	0.1658
Rwork	0.159
R-free	0.19180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.803
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.430
High resolution limit [Å]	1.350	1.350
Number of reflections	314320	48928
<I/σ(I)>	12.64	1.27
Completeness [%]	99.2
Redundancy	6.69
CC(1/2)	0.999	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	150 mmol/L DL-malate dissodic, 20% PEG 3350