8F3J

Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A 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	191.129, 191.129, 156.508
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.080 - 2.590
R-factor	0.1963
Rwork	0.195
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.002
RMSD bond angle	0.504
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.600	2.670
High resolution limit [Å]	2.590	2.590
Rmerge	0.212	2.759
Rmeas	0.218	2.878
Rpim	0.049	0.797
Total number of observations	997347	52806
Number of reflections	52412	4337
<I/σ(I)>	13	1.5
Completeness [%]	99.7
Redundancy	19	12.2
CC(1/2)	0.997	0.475

Crystallization Conditions

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