4D2E

Crystal structure of an integral membrane kinase - v2.3

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	2014-04-21
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	75.290, 91.820, 143.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.021 - 2.280
R-factor	0.1904
Rwork	0.188
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ze3
RMSD bond length	0.012
RMSD bond angle	0.995
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]	75.290	2.340
High resolution limit [Å]	2.280	2.280
Rmerge	0.090	0.810
Number of reflections	45427
<I/σ(I)>	15.9	1.9
Completeness [%]	98.4	96.9
Redundancy	9.6	5.4

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 (LIPID CUBIC PHASE) METHOD WITH 7.8 MAG AS THE HOST LIPID AT 4 CELSIUS DEGREE.