9FZP

Pseudomonas aeruginosa penicillin binding protein 3 in complex with cefepime

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	2024-01-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97628
Spacegroup name	P 21 21 21
Unit cell lengths	67.303, 88.467, 82.008
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.560 - 2.700
R-factor	0.2527
Rwork	0.250
R-free	0.29550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.201
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]	53.590	2.840
High resolution limit [Å]	2.700	2.700
Rmerge	0.299	1.529
Rmeas	0.319	1.635
Rpim	0.108	0.558
Number of reflections	12157	1620
<I/σ(I)>	4.2
Completeness [%]	87.8
Redundancy	7.8
CC(1/2)	0.987	0.546

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