8F3P

Crystal structure of Penicillin Binding Protein 5 (PBP5) R464A 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	191.741, 191.741, 156.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.100 - 3.090
R-factor	0.1889
Rwork	0.188
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.002
RMSD bond angle	0.492
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]	39.680	3.260
High resolution limit [Å]	3.090	3.090
Rmerge	0.288	2.256
Rmeas	0.295	2.314
Rpim	0.066	0.508
Total number of observations	622831	89447
Number of reflections	31376	4435
<I/σ(I)>	13.2	2.3
Completeness [%]	99.7
Redundancy	19.9	20.2
CC(1/2)	0.996	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.085 M Tris pH 8.0, 2.55 M ammonium sulfate