8PZM

Intracellular leucine aminopeptidase of Pseudomonas aeruginosa PA14 bound to bestatin inhibitor and manganese

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	2022-10-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 63 2 2
Unit cell lengths	182.050, 182.050, 87.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.780 - 1.700
R-factor	0.1706
Rwork	0.170
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.901
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]	43.790	1.730
High resolution limit [Å]	1.700	1.700
Rmeas	0.272	5.652
Number of reflections	93600	4607
<I/σ(I)>	13.3	0.6
Completeness [%]	100.0
Redundancy	40.3
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, 20 % PEG 3350, 172 mM ammonium nitrate