6C84

Crystal structure of PBP5 from Enterococcus faecium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9870
Spacegroup name	P 1 21 1
Unit cell lengths	110.977, 73.071, 131.445
Unit cell angles	90.00, 114.97, 90.00

Refinement procedure

Resolution	29.790 - 2.511
R-factor	0.2251
Rwork	0.224
R-free	0.26500
RMSD bond length	0.006
RMSD bond angle	0.831
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.550
High resolution limit [Å]	2.510	6.790	2.510
Rmerge	0.096	0.040	0.829
Rmeas	0.112	0.047	0.967
Rpim	0.057	0.025	0.495
Total number of observations	246829
Number of reflections	65301	3389	3220
<I/σ(I)>	10.4
Completeness [%]	100.0	99.6	100
Redundancy	3.8	3.5	3.8
CC(1/2)		0.997	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			0.2 M Mg acetate, 0.1 M Na cacodylate pH 6.5, 5% PEG 8000