8F3Y

Crystal structure of Penicillin Binding Protein 5 (PBP5) Poly-Gly variant penicillin bound form from Enterococcus faecium

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	2019-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	193.054, 193.054, 155.874
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.970 - 2.990
R-factor	0.2109
Rwork	0.209
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.002
RMSD bond angle	0.433
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.970	3.140
High resolution limit [Å]	2.990	2.990
Rmerge	0.156	2.480
Rmeas	0.160	2.545
Rpim	0.036	0.563
Total number of observations	686375	87598
Number of reflections	34965	4502
<I/σ(I)>	15.9	1.6
Completeness [%]	99.7
Redundancy	19.6	19.5
CC(1/2)	0.999	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.095 M Trisodium citrate pH 5.5, 2.28 M ammonium sulfate