8ACR

Structure of Pseudomonas aeruginosa aminopeptidase, PaAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9
Spacegroup name	P 2 21 21
Unit cell lengths	46.017, 90.642, 129.718
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.017 - 2.100
R-factor	0.1775
Rwork	0.175
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8ac7
Data reduction software	xia2
Data scaling software	xia2 (3.8.1)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.750	52.760	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmeas	0.059	0.032	0.553
Rpim	0.016	0.009	0.164
Total number of observations	428078	21409	16810
Number of reflections	32511	1794	1523
<I/σ(I)>	21.7	75.4	1
Completeness [%]	99.9	100	96.9
Redundancy	13.2	11.9	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MMT (DL-Malic acid, MES monohydrate, Tris) pH 6.0, 25 % w/v PEG 1500