2QVL

Crystal Structure of Diacylglycerol Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	170
Detector technology	CCD
Collection date	2007-02-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 42 21 2
Unit cell lengths	124.210, 124.210, 48.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.150 - 2.400
R-factor	0.23087
Rwork	0.229
R-free	0.27213
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.335
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.150	2.490
High resolution limit [Å]	2.400	2.400
Rmerge		0.376
Number of reflections	15472
<I/σ(I)>	28.1	8.2
Completeness [%]	99.8	99.5
Redundancy	8.8	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	drop: 0.1 M Tris pH 8.5, 9% PEG2KMME; well: 0.1 M Tris pH 8.5, 18% PEG2KMME, VAPOR DIFFUSION, SITTING DROP, temperature 277K