8F3S

Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I 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	193.338, 193.338, 156.986
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.310 - 3.500
R-factor	0.185
Rwork	0.183
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.001
RMSD bond angle	0.402
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]	38.410	3.780
High resolution limit [Å]	3.500	3.500
Rmerge	0.507	4.077
Rmeas	0.521	4.184
Rpim	0.117	0.930
Total number of observations	436622	89790
Number of reflections	22247	4509
<I/σ(I)>	11.2	3.9
Completeness [%]	99.3
Redundancy	19.6	19.9
CC(1/2)	0.992	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.1 M MES pH 6.0, 2.9 M ammonium sulfate