8U55

Crystal structure of Enterococcus faecium EnGen25 Penicillin-binding protein 5 (PBP5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.127134
Spacegroup name	P 43 21 2
Unit cell lengths	62.227, 62.227, 372.317
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 1.900
R-factor	0.2285
Rwork	0.226
R-free	0.27370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.996
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.460	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.338	0.326
Rmeas	0.345	12.141
Rpim	0.069	2.358
Number of reflections	109767	3772
<I/σ(I)>	9.7
Completeness [%]	100.0
Redundancy	25	26.3
CC(1/2)	0.984	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.18 M CaCl2, 0.09 M HEPES pH 8.0, 31.5% (v/v) Pentaerythritol ethoxylate (15/4 EO/OH), 0.59 mM Undecyl-beta-D-maltoside