5DWK

Diacylglycerol Kinase solved by multi crystal multi orientation native SAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-14
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	2.0664
Spacegroup name	P 21 21 21
Unit cell lengths	75.290, 91.570, 143.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.785 - 2.601
R-factor	0.2036
Rwork	0.201
R-free	0.24530
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.717
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX ((dev_2067: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.221	1.130
Number of reflections	58770
<I/σ(I)>	36.46	4.18
Completeness [%]	99.6	96.5
Redundancy	142.9	55.85

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.