8P4L

Beta-N-acetylgalactosaminidase from Niabella aurantiaca

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-03
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.8731
Spacegroup name	P 1 21 1
Unit cell lengths	135.460, 117.620, 282.440
Unit cell angles	90.00, 97.74, 90.00

Refinement procedure

Resolution	47.020 - 2.790
R-factor	0.1938
Rwork	0.193
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.020	2.890
High resolution limit [Å]	2.790	2.790
Number of reflections	215455	19196
<I/σ(I)>	8.02
Completeness [%]	98.3
Redundancy	6.6
CC(1/2)	1.000	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 sodium sulfate; 25% w/v PEG3500