6MKF

Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the imipenem-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	P 63 2 2
Unit cell lengths	192.933, 192.933, 155.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.840 - 2.800
R-factor	0.174
Rwork	0.173
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PBP5 apo open
RMSD bond length	0.002
RMSD bond angle	0.494
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.840	2.910
High resolution limit [Å]	2.800	2.800
Rmerge	0.157	1.661
Rmeas	0.166	1.803
Rpim	0.052	0.678
Number of reflections	42442	4301
<I/σ(I)>	20.1	1.8
Completeness [%]	99.8	98.5
Redundancy	18.3	12.9
CC(1/2)	0.999	0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	0.1 M trisodium citrate, 2 M ammonium sulfate