9D25

Crystal structure of Penicillin Binding Protein 5 (PBP5) N523A E542A Q627A variant of Enterococcus faecium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS DIAMOND MICROFOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-01
Detector	Bruker PHOTON III
Wavelength(s)	1.54184
Spacegroup name	P 43 21 2
Unit cell lengths	63.201, 63.201, 375.482
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 2.600
R-factor	0.226
Rwork	0.223
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.450
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	2.710
High resolution limit [Å]	2.600	2.600
Rmerge	0.191	0.811
Rmeas	0.196	0.844
Number of reflections	24786	2851
<I/σ(I)>	12.7	3
Completeness [%]	99.4	96.2
Redundancy	18.6	12.7
CC(1/2)	0.997	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.1 M MES pH 6.0, 30% v/v Jeffamine ED-2003, 0.2 M sodium chloride