8FEB

Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352)

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	2022-09-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	61.629, 56.818, 79.976
Unit cell angles	90.00, 96.13, 90.00

Refinement procedure

Resolution	46.230 - 1.840
R-factor	0.1574
Rwork	0.156
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.925
Data reduction software	xia2 (XIA2 3.8.0-g3d570883-tags-v3.8.0-0)
Data scaling software	Aimless (0.7.9)
Phasing software	PHENIX (1.2.0.1-4487)
Refinement software	PHENIX (1.2.0.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.230	1.906
High resolution limit [Å]	1.840	1.840
Rmerge	0.083	0.356
Rmeas	0.097	0.416
Rpim	0.049	0.212
Number of reflections	47211	4717
<I/σ(I)>	10.67	3.52
Completeness [%]	98.4	98.5
Redundancy	3.8	3.9
CC(1/2)	0.996	0.890

Crystallization Conditions

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