4BPD

Structure determination of an integral membrane kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-13
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	74.870, 93.430, 144.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.035 - 3.300
R-factor	0.2431
Rwork	0.241
R-free	0.28210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ze3
RMSD bond length	0.001
RMSD bond angle	0.357
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]	78.380	3.390
High resolution limit [Å]	3.300	3.300
Rmerge	0.090	0.910
Number of reflections	15336
<I/σ(I)>	10.6	2
Completeness [%]	97.1	98
Redundancy	4.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	277	3-5 %(V/V) 2-METHYL-2, 4-PENTANEDIOL (MPD), 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, LCP) METHOD AT 4 DEGREES CELCIUS WITH THE 7.8 MONOACYLGLYCEROL (7.8 MAG) AS THE HOSTING LIPID.