4UP6

Crystal structure of the wild-type diacylglycerol kinase refolded in the lipid cubic phase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-16
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	75.390, 75.390, 197.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.323 - 3.801
R-factor	0.3263
Rwork	0.325
R-free	0.37150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ze4
RMSD bond length	0.004
RMSD bond angle	0.838
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.440	3.900
High resolution limit [Å]	3.800	3.800
Rmerge	0.140	1.130
Number of reflections	6532
<I/σ(I)>	9.2	1.7
Completeness [%]	95.5	97.8
Redundancy	6.4	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	277	3-5 %(V/V) 2-METHYL-2, 4-PENTANEDIOL, 0.1 M SODIUM CHLORIDE, 0.1 M LITHIUM NITRATE, 0.1 M SODIUM CITRATE/HCL PH 5.6. CRYSTALLIZED USING THE IN MESO (LIPIDIC CUBIC PHASE) METHOD AT 4 DEGREE CELSIUS WITH THE 7.8 MONOACYLGLYCEROL (7.8 MAG) AS THE HOSTING LIPID.