3ZE3

Crystal structure of the integral membrane diacylglycerol kinase - delta7

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	2012-06-13
Detector	MARRESEARCH
Wavelength(s)	1.03320, 0.97944
Spacegroup name	P 21 21 21
Unit cell lengths	75.060, 91.540, 143.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.894 - 2.050
R-factor	0.1969
Rwork	0.196
R-free	0.21670
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.003
RMSD bond angle	0.536
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX (CDE)
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.040	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.110	0.850
Number of reflections	62716
<I/σ(I)>	12.4	2
Completeness [%]	99.7	99.5
Redundancy	9.3	6.9

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, 0.06 M MAGNESIUM ACETATE, 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.