6MKH

Crystal structure of pencillin binding protein 4 (PBP4) from Enterococcus faecalis in the imipenem-bound form

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	2017-10-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	123.842, 85.401, 84.572
Unit cell angles	90.00, 110.30, 90.00

Refinement procedure

Resolution	37.895 - 2.620
R-factor	0.1986
Rwork	0.197
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PBP4 apo
RMSD bond length	0.003
RMSD bond angle	0.569
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]	37.895	2.740
High resolution limit [Å]	2.620	2.620
Rmerge	0.058	0.211
Rmeas	0.075	0.280
Rpim	0.047	0.181
Number of reflections	77350	2364
<I/σ(I)>	12.5	3.7
Completeness [%]	96.0	77.3
Redundancy	4.6	4
CC(1/2)	0.959	0.321

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.25	294	0.04M KH2PO4, 16% PEG 8000, 20% glycerol