4WER

Crystal structure of diacylglycerol kinase catalytic domain protein from Enterococcus faecalis V583

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97929
Spacegroup name	P 21 21 2
Unit cell lengths	65.271, 103.157, 44.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.478 - 2.050
R-factor	0.1963
Rwork	0.192
R-free	0.23150
RMSD bond length	0.004
RMSD bond angle	0.907
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.072	0.032	0.534
Total number of observations	136520
Number of reflections	19514
<I/σ(I)>	9.8
Completeness [%]	99.8	96.4	100
Redundancy	7	6.1	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.1 M HEPES, 2.0M Ammonium sulfate