7KIS

Crystal structure of Pseudomonas aeruginosa PBP2 in complex with WCK 5153

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X17B1
Synchrotron site	NSLS
Beamline	X17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979331
Spacegroup name	P 1 21 1
Unit cell lengths	82.018, 75.924, 97.299
Unit cell angles	90.00, 106.73, 90.00

Refinement procedure

Resolution	29.668 - 2.869
R-factor	0.2609
Rwork	0.258
R-free	0.31650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g9f
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.670	3.000
High resolution limit [Å]	2.869	2.869
Rmerge	0.158	0.514
Number of reflections	23998	3298
<I/σ(I)>	5.2
Completeness [%]	90.8	86.1
Redundancy	3.4	3.3
CC(1/2)	0.978	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M HEPES pH 7.5, 0.2M ammonium acetate, and 25% PEG 3350