8T26

Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) D219A mutant bound to 3'-Sialyllactose (only Neu5Ac visible)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0333
Spacegroup name	P 1 21 1
Unit cell lengths	61.484, 56.829, 80.026
Unit cell angles	90.00, 96.30, 90.00

Refinement procedure

Resolution	46.080 - 1.420
R-factor	0.1641
Rwork	0.163
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8feb
RMSD bond length	0.009
RMSD bond angle	1.108
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.080	1.472
High resolution limit [Å]	1.420	1.421
Rmerge	0.118	0.966
Rmeas	0.135	1.096
Rpim	0.063	0.511
Number of reflections	103256	10239
<I/σ(I)>	8.66	0.85
Completeness [%]	99.8	98.65
Redundancy	4.4	4.4
CC(1/2)	0.994	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	296	1.8 M ammonium citrate tribasic, pH 7.0