9FMA

Structure of Porphyromonas gingivalis endopeptidase (PgPepO)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	193
Detector technology	PIXEL
Collection date	2021-05-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.282416
Spacegroup name	P 41 21 2
Unit cell lengths	93.222, 93.222, 182.506
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.610 - 1.760
R-factor	0.1884
Rwork	0.188
R-free	0.21440
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.658
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.610	1.823
High resolution limit [Å]	1.760	1.760
Number of reflections	80690	7885
<I/σ(I)>	13.2
Completeness [%]	100.0
Redundancy	14.4
CC(1/2)	0.990	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Tris pH=7.5, 0.2 M magnesium chloride, 40% (v/v) ethylene glycol, 15% (w/v) PEG 8000 (pH=6.5)