8ACG

Structure of Pseudomonas aeruginosa aminopeptidase, PaAP_T E340A mutant

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	2022-05-31
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 3
Unit cell lengths	186.740, 186.740, 84.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.572 - 2.840
R-factor	0.1928
Rwork	0.191
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8ac7
Data reduction software	xia2
Data scaling software	xia2 (3.10.dev0)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.130	61.140	2.890
High resolution limit [Å]	2.840	7.700	2.840
Rmeas	0.062	0.022	1.606
Rpim	0.027	0.010	0.791
Total number of observations	406620	19950	14467
Number of reflections	77841	3877	3761
<I/σ(I)>	15.2	53.8	0.8
Completeness [%]	99.8	99.5	97.3
Redundancy	5.2	5.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M magnesium acetate tetrahydrate, 0.1 M potassium chloride, 0.1 M MES pH 6.2, 12 % v/v PEG Smear High