8C5W

Crystal Structure of Penicillin-binding Protein 3 (PBP3) from Staphylococcus Epidermidis in complex with Cefotaxime

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-29
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033210
Spacegroup name	P 41 21 2
Unit cell lengths	83.061, 83.061, 308.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.750 - 2.510
R-factor	0.2325
Rwork	0.231
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.641
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.236	2.512
High resolution limit [Å]	2.500	2.500
Number of reflections	70884	11304
<I/σ(I)>	0.99
Completeness [%]	99.9
Redundancy	13.7
CC(1/2)	0.999	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	Ammonium sulfate + Cefotaxime