4CK0

Crystal structure of the integral membrane diacylglycerol kinase - form 2

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	2012-12-01
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	72.820, 72.820, 195.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.006 - 2.924
R-factor	0.2495
Rwork	0.248
R-free	0.28090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ze3
RMSD bond length	0.012
RMSD bond angle	0.563
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.020	3.000
High resolution limit [Å]	2.920	2.920
Rmerge	0.100	0.760
Number of reflections	13563
<I/σ(I)>	9.9	2.5
Completeness [%]	99.1	99.5
Redundancy	4.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	277	7-9%(V/V) 2-METHYL-2-4-PENTANEDIOL, 0.1 M SODIUM CHLORIDE, 0.1 M LITHIUM NITRATE, 0.1 M SODIUM CITRATE PH 5.6. CRYSTALLIZED USING THE IN MESO (LIPIDIC CUBIC PHASE) METHOD AT 4 DEGREE CELSIUS WITH THE MONOOLEIN AS THE HOSTING LIPID. CRYSTALS WERE SOAKED AT 4 DEGREE CELSIUS WITH 10 MM AMPPCP AND 60 MM MAGNESIUM IN THE CRYSTALLIZATION CONDITION FOR 2 H BEFORE HARVESTING.