8AC7

Structure of Pseudomonas aeruginosa aminopeptidase, PaAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-18
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	62.952, 85.953, 98.216
Unit cell angles	90.00, 93.56, 90.00

Refinement procedure

Resolution	64.627 - 1.400
R-factor	0.1567
Rwork	0.156
R-free	0.17490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hc6 5ib9 1tkj
RMSD bond length	0.005
RMSD bond angle	0.774
Data reduction software	xia2
Data scaling software	xia2 (3.6.1)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.950	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.057	0.660
Rmeas	0.061	0.736
Rpim	0.023	0.316
Total number of observations	1375192	45920
Number of reflections	203540	8909
<I/σ(I)>	20.6	1.1
Completeness [%]	99.4
Redundancy	6.8	5.2
CC(1/2)	0.998	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium acetate pH 4.5, 0.2 M zinc acetate, 10 % PEG3000, 20 % 2-propanol