8F3F

Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M 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	2018-01-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	192.665, 192.665, 155.862
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.790 - 2.840
R-factor	0.1751
Rwork	0.173
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.005
RMSD bond angle	0.696
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.790	2.960
High resolution limit [Å]	2.840	2.840
Rmerge	0.185	2.006
Rmeas	0.194	2.075
Rpim	0.053	0.523
Total number of observations	610210	64046
Number of reflections	40522	4307
<I/σ(I)>	12.2	2.1
Completeness [%]	99.4
Redundancy	15.1	14.9
CC(1/2)	0.865	0.744

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