8F3O

Crystal structure of Penicillin Binding Protein 5 (PBP5) R464A 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	192.025, 192.025, 155.375
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.660 - 3.000
R-factor	0.206
Rwork	0.205
R-free	0.23280
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 (0.7.4)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.970	3.140
High resolution limit [Å]	3.000	3.000
Rmerge	0.220	1.756
Rmeas	0.226	1.801
Rpim	0.050	0.396
Total number of observations	684184	90868
Number of reflections	34358	4471
<I/σ(I)>	14.1	2.1
Completeness [%]	99.9
Redundancy	19.9	20.3
CC(1/2)	0.997	0.747

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.