9FZO

Pseudomonas aeruginosa penicillin binding protein 3 in complex with ceftazidime

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 EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	68.326, 83.183, 89.886
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.530 - 1.800
R-factor	0.189
Rwork	0.187
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.678
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]	54.390	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.105	1.000
Rpim	0.038	0.393
Number of reflections	47543	2374
<I/σ(I)>	12.4	1.9
Completeness [%]	98.7
Redundancy	8.6
CC(1/2)	0.997	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.2 M sodium sulfate, 0.1 M Bis-Tris propane pH 8.5, 20 % w/v PEG 3350