8F3Q

Crystal structure of Penicillin Binding Protein 5 (PBP5) Y460A variant apo 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	192.439, 192.439, 156.266
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.780 - 2.900
R-factor	0.2026
Rwork	0.202
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.001
RMSD bond angle	0.420
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]	39.780	3.020
High resolution limit [Å]	2.890	2.890
Rmerge	0.184	1.926
Rmeas	0.189	1.976
Rpim	0.042	0.437
Total number of observations	763890	91236
Number of reflections	38392	4559
<I/σ(I)>	15.9	1.9
Completeness [%]	99.7
Redundancy	19.9	20
CC(1/2)	0.998	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M HEPES pH 7.0, 3.0 M ammonium sulfate