9FZE

Pseudomonas aeruginosa penicillin binding protein 3 in complex with meropenem

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	2023-10-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99763
Spacegroup name	P 21 21 21
Unit cell lengths	68.697, 89.076, 83.452
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.540 - 2.100
R-factor	0.2147
Rwork	0.213
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.494
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.890	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.170	1.246
Rpim	0.055	0.398
Number of reflections	56238	2486
<I/σ(I)>	9	1.9
Completeness [%]	100.0	100
Redundancy	10.5
CC(1/2)	0.998	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.01 M zinc chloride, 0.1 M MES pH 6.0, 20 % w/v PEG 6000