8T1Z

Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) Bound to Neu5Ac (NANA)

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	61.255, 56.782, 80.378
Unit cell angles	90.00, 96.07, 90.00

Refinement procedure

Resolution	41.530 - 1.930
R-factor	0.1758
Rwork	0.174
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8feb
RMSD bond length	0.008
RMSD bond angle	0.992
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]	41.530	1.999
High resolution limit [Å]	1.930	1.930
Rmerge	0.129	0.791
Rmeas	0.157	0.966
Rpim	0.088	0.547
Number of reflections	40836	3885
<I/σ(I)>	7.52
Completeness [%]	98.2	94.43
Redundancy	3	2.9
CC(1/2)	0.986	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	296	1.6 M ammonium citrate tribasic, pH 7.0