8F3M

Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant with S466 insertion 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	2018-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	192.841, 192.841, 156.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.310 - 2.810
R-factor	0.1682
Rwork	0.166
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.006
RMSD bond angle	0.806
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]	38.310	2.910
High resolution limit [Å]	2.800	2.800
Rmerge	0.138	0.679
Rmeas	0.145	0.754
Rpim	0.037	0.263
Total number of observations	936163	100888
Number of reflections	40554	4495
<I/σ(I)>	23.6	4.5
Completeness [%]	95.5
Redundancy	23.1	22.4
CC(1/2)	0.925	0.858

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