8F3T

Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I V629E 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	2018-04-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	192.777, 192.777, 155.427
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.780 - 2.560
R-factor	0.1929
Rwork	0.192
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.001
RMSD bond angle	0.412
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]	39.780	2.630
High resolution limit [Å]	2.560	2.560
Rmerge	0.068	1.139
Rmeas	0.072	1.193
Rpim	0.021	0.352
Total number of observations	620710	49747
Number of reflections	55258	4437
<I/σ(I)>	23.8	2.2
Completeness [%]	99.9
Redundancy	11.2	11.2
CC(1/2)	0.999	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1 M citric acid pH 5.0, 3.0 M ammonium sulfate