8F67

Crystal structure of the refolded Penicillin Binding Protein 5 (PBP5) of 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	C 2 2 21
Unit cell lengths	190.937, 331.666, 156.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.630 - 3.590
R-factor	0.1813
Rwork	0.180
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.002
RMSD bond angle	0.430
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]	39.630	3.680
High resolution limit [Å]	3.590	3.590
Rmerge	0.293	1.096
Rmeas	0.317	1.197
Rpim	0.121	0.470
Total number of observations	393565	26257
Number of reflections	57949	4185
<I/σ(I)>	8	3.5
Completeness [%]	99.3
Redundancy	6.8	6.3
CC(1/2)	0.977	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.1 M MES pH 6.0, 3.0 M ammonium sulfate