8F3V

Crystal structure of Penicillin Binding Protein 5 (PBP5) PAPAPAP 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	2019-03-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	191.402, 191.402, 155.786
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.950 - 3.100
R-factor	0.1795
Rwork	0.178
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.002
RMSD bond angle	0.509
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]	39.590	3.260
High resolution limit [Å]	3.100	3.100
Rmerge	0.299	3.709
Rmeas	0.303	3.758
Rpim	0.048	0.599
Total number of observations	1235309	170572
Number of reflections	31112	4413
<I/σ(I)>	18.1	2.3
Completeness [%]	99.8
Redundancy	39.7	38.7
CC(1/2)	0.999	0.743

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