5FCE

The crystal structure of the ligand binding region of Serine-glutamate repeat protein A (SgrA) of Enterococcus faecium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9790
Spacegroup name	P 1 21 1
Unit cell lengths	35.901, 56.722, 59.746
Unit cell angles	90.00, 107.22, 90.00

Refinement procedure

Resolution	40.231 - 1.798
R-factor	0.192
Rwork	0.188
R-free	0.23080
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.119
Data reduction software	XDS (November 3, 2014)
Data scaling software	XSCALE (November 3, 2014)
Phasing software	PHENIX (1.8-1069)
Refinement software	PHENIX (1.8-1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.231		1.840
High resolution limit [Å]	1.790	8.040	1.800
Rmerge	0.101	0.039	0.764
Rmeas	0.106	0.040	0.807
Total number of observations	436641
Number of reflections	21433	468	3045
<I/σ(I)>	18.92	54.9	3.87
Completeness [%]	99.9	99.4	100
Redundancy	10.43		9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	40% PEG 2K MME, 100mM imidazole, 25mm Magnesium chloride