8F3Z

Crystal structure of Penicillin Binding Protein 5 (PBP5) S422A 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	190.692, 190.692, 156.108
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.030 - 2.800
R-factor	0.1818
Rwork	0.180
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.002
RMSD bond angle	0.478
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	2.910
High resolution limit [Å]	2.800	2.800
Rmerge	0.351	3.355
Rmeas	0.360	3.447
Rpim	0.080	0.779
Total number of observations	827832	87971
Number of reflections	41759	4582
<I/σ(I)>	14.3	3.3
Completeness [%]	99.8
Redundancy	19.8	19.2
CC(1/2)	0.995	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.095 M Tris pH 8.0, 2.85 M ammonium sulfate