5D9H

Crystal structure of SPAK (STK39) dimer in the basal activity state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	72.386, 56.105, 99.958
Unit cell angles	90.00, 108.28, 90.00

Refinement procedure

Resolution	42.867 - 3.100
R-factor	0.2403
Rwork	0.236
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.181
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.900	50.000	3.200
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.069	0.047	0.492
Total number of observations	38612
Number of reflections	13658
<I/σ(I)>	15.1		2.1
Completeness [%]	85.6	94.7	44.3
Redundancy	2.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	100 mM MES, 150 mM ammonium sulfate, 18% PEG4000, 1:1 drop ratio