7KIW

Crystal structure of Pseudomonas aeruginosa PBP3 in complex with zidebactam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	68.372, 80.025, 88.115
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.940 - 2.490
R-factor	0.2033
Rwork	0.200
R-free	0.27190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pbq
RMSD bond length	0.007
RMSD bond angle	1.372
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.560
High resolution limit [Å]	2.490	2.490
Rmerge	0.182	1.210
Number of reflections	17225	1711
<I/σ(I)>	22.3
Completeness [%]	99.9	100
Redundancy	12	12.8
CC(1/2)	0.997	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	30% polyethylene glycol 4000, 0.2 M MgCl2, 0.1 M Tris pH 8.5