2QV7

Crystal Structure of Diacylglycerol Kinase DgkB in complex with ADP and Mg

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	2007-03-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 42 21 2
Unit cell lengths	123.760, 123.760, 47.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.170 - 2.300
R-factor	0.20845
Rwork	0.206
R-free	0.24640
Structure solution method	Rigid body refinement of DgkB
RMSD bond length	0.007
RMSD bond angle	1.122
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	DgkB (model used for rigid body refinement)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge		0.431
Number of reflections	16997
<I/σ(I)>	24.5	4.2
Completeness [%]	99.8	99.8
Redundancy	12.2	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	drop: 0.1 M Tris pH 8.5, 9% PEG2K MME; well: 0.1 M Tris pH 8.5, 18% PEG2K MME, VAPOR DIFFUSION, temperature 277K