3U87

Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue

Replaces:  3RP0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 43 21 2
Unit cell lengths	127.821, 127.821, 125.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.655 - 2.900
R-factor	0.1873
Rwork	0.186
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nga
RMSD bond length	0.006
RMSD bond angle	0.641
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	2.920
High resolution limit [Å]	2.850	2.850
Rmerge	0.097
Number of reflections	24724
<I/σ(I)>	17.3	2.43
Completeness [%]	99.3	99.7
Redundancy	8.03	8.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	reservoir: 15% polyethylene glycol 8000, 15% glycerol, 0.17 M ammonium sulfate, 0.1 M sodium cacodylate buffer; drop: 0.8 uL reservoir solution, 0.8 uL protein solution (12.6 mg/ml), 0.5 uL 10% anapoe 305 (detergent), 1.5 uL 5 mM AMPPNP, 1.5 uL 10 mM magnesium chloride, 1.5 uL CK2 substrate peptide (sequence RRRADDSDDDDD), pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K