8T24

Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352)- Fructose bound in CBM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	80.418, 55.502, 85.168
Unit cell angles	90.00, 115.09, 90.00

Refinement procedure

Resolution	69.730 - 2.290
R-factor	0.1764
Rwork	0.174
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8feb
RMSD bond length	0.007
RMSD bond angle	0.956
Data reduction software	DIALS (3.8)
Data scaling software	xia2 (3.8.6)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.730	2.372
High resolution limit [Å]	2.290	2.290
Rmerge	0.160	0.863
Rmeas	0.182	0.989
Rpim	0.085	0.473
Number of reflections	30701	3060
<I/σ(I)>	7.74
Completeness [%]	98.9	98.73
Redundancy	4.6	4.6
CC(1/2)	0.988	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	296	1.8 M ammonium citrate tribasic, pH 7.0, 0.1 M D-fructose