9G59

Pseudomonas aeruginosa periplasmic aspartic peptidase PA0462 (RloA2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	71.141, 71.141, 146.939
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.610 - 2.400
R-factor	0.2207
Rwork	0.218
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.518
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.610	2.470
High resolution limit [Å]	2.400	2.400
Rmerge	0.050	1.204
Number of reflections	32573	2681
<I/σ(I)>	16.45	1.06
Completeness [%]	99.8	98.48
Redundancy	6.4	5.7
CC(1/2)	0.999	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.25 M sodium phosphate dibasic and 24% PEG 3350 (soaked in condition with 20% xylitol)