6MKJ

Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the closed conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	62.660, 62.660, 371.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.700 - 2.864
R-factor	0.2299
Rwork	0.225
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PBP5 apo open
RMSD bond length	0.002
RMSD bond angle	0.497
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.700	2.940
High resolution limit [Å]	2.860	2.860
Rmerge	0.152	0.575
Rmeas	0.158	0.604
Number of reflections	18280	1164
<I/σ(I)>	12.7	3
Completeness [%]	99.1	90.6
Redundancy	12.9	9.9
CC(1/2)	0.997	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	294	BisTris, 15% PEG 3350, 15% PEG 400, 0.1 M sucrose, 0.1 M trehalose, 0.1 M glucose, 0.1 M galactose