8F3L

Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant penicillin bound 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	193.182, 193.182, 156.401
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.100 - 3.400
R-factor	0.1814
Rwork	0.181
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.002
RMSD bond angle	0.436
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]	39.100	3.630
High resolution limit [Å]	3.390	3.390
Rmerge	0.276	3.385
Rmeas	0.283	3.473
Rpim	0.064	0.769
Total number of observations	476902	85299
Number of reflections	24307	4254
<I/σ(I)>	10.7	2.2
Completeness [%]	99.7
Redundancy	19.6	20.1
CC(1/2)	0.997	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.08 M HEPES pH 7.0, 2.4 M ammonium sulfate