8PZY

Intracellular leucine aminopeptidase of Pseudomonas aeruginosa PA14 - hexameric assembly with manganese bound

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)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	87.530, 183.030, 316.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.750 - 1.970
R-factor	0.1778
Rwork	0.176
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.965
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.250	2.000
High resolution limit [Å]	1.970	1.970
Rmeas	0.153	3.792
Number of reflections	357632	17692
<I/σ(I)>	10.4	0.7
Completeness [%]	100.0	100
Redundancy	13.7
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	5 mM MnCl2 in 20 % PEG 3350, and 172 mM ammonium nitrate