9ZAU

Pel polysaccharide deacetylase PelA from Bacillus cereus ATCC 10987

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.28377
Spacegroup name	P 1 21 1
Unit cell lengths	55.238, 112.033, 100.509
Unit cell angles	90.00, 90.89, 90.00

Refinement procedure

Resolution	29.640 - 2.510
R-factor	0.1975
Rwork	0.194
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.991
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.640	2.580
High resolution limit [Å]	2.510	2.510
Rmerge	0.089	0.600
Number of reflections	40986	2720
<I/σ(I)>	7.8
Completeness [%]	98.5
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.15 M Ammonium fluoride, 27.5% (v/v) PEG3350