3ZE4

Crystal structure of the integral membrane diacylglycerol kinase - wild-type

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
Spacegroup name	P 31 2 1
Unit cell lengths	74.970, 74.970, 196.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.226 - 3.702
R-factor	0.2862
Rwork	0.285
R-free	0.31180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ze5
RMSD bond length	0.005
RMSD bond angle	0.795
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]	39.230	3.800
High resolution limit [Å]	3.700	3.700
Rmerge	0.080	0.720
Number of reflections	7069
<I/σ(I)>	11.8	2
Completeness [%]	96.7	98
Redundancy	4.8	4.7

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.