8F3N

Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant with S466 insertion 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	2018-04-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	192.264, 192.264, 156.952
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.200 - 2.990
R-factor	0.1993
Rwork	0.198
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.001
RMSD bond angle	0.414
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.240	3.140
High resolution limit [Å]	2.990	2.990
Rmerge	0.131	0.542
Rmeas	0.137	0.591
Rpim	0.040	0.206
Total number of observations	455452	58701
Number of reflections	34774	4522
<I/σ(I)>	13.5	2.3
Completeness [%]	99.6
Redundancy	13.1	13
CC(1/2)	0.971	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1 M citric acid pH 5.0, 3.0 M ammonium sulfate