8F3R

Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I 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	191.600, 191.600, 156.315
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.990 - 3.300
R-factor	0.1767
Rwork	0.176
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.001
RMSD bond angle	0.388
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]	39.080	3.520
High resolution limit [Å]	3.300	3.300
Rmerge	0.165	0.774
Rmeas	0.170	0.794
Rpim	0.038	0.177
Total number of observations	511918	91766
Number of reflections	26059	4620
<I/σ(I)>	20.3	7.2
Completeness [%]	99.8
Redundancy	19.6	19.9
CC(1/2)	0.995	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M HEPES pH 7.0, 2.8 M ammonium sulfate