8F3X

Crystal structure of Penicillin Binding Protein 5 (PBP5) Poly-Gly 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	2019-03-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	190.767, 190.767, 155.922
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.940 - 3.400
R-factor	0.1892
Rwork	0.188
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.001
RMSD bond angle	0.395
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]	39.500	3.670
High resolution limit [Å]	3.400	3.400
Rmerge	0.274	1.600
Rmeas	0.282	1.642
Rpim	0.063	0.364
Total number of observations	465402	95698
Number of reflections	23640	4750
<I/σ(I)>	12.5	2.9
Completeness [%]	99.8
Redundancy	19.7	20.1
CC(1/2)	0.997	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1 M Tris pH 8.0, 3.0 ammonium sulfate