4CJZ

Crystal structure of the integral membrane diacylglycerol kinase DgkA- 9.9, delta 4

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	2011-07-21
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	72.780, 72.780, 199.280
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.267 - 3.250
R-factor	0.2573
Rwork	0.255
R-free	0.29150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ze5
RMSD bond length	0.002
RMSD bond angle	0.405
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]	53.270	3.330
High resolution limit [Å]	3.250	3.250
Rmerge	0.120	1.150
Number of reflections	10196
<I/σ(I)>	12.7	2.1
Completeness [%]	99.6	99.8
Redundancy	9.7	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	277	7-8 %(V/V) 2-METHYL-2, 4-PENTANEDIOL (MPD), 2-4 %(V/V) 1,4-BUTANEDIOL, 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 DEGREES CELCIUS WITH THE 9.9 MONOACYLGLYCEROL (9.9 MAG, MONOOLEIN) AS THE HOSTING LIPID.