2ZV2

Crystal structure of human calcium/calmodulin-dependent protein kinase kinase 2, beta, CaMKK2 kinase domain in complex with STO-609

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-02
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	67.368, 77.153, 84.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.000 - 2.400
Rwork	0.203
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vn9
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.890	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	17475
<I/σ(I)>	25.88	2.77
Completeness [%]	98.5	99.9
Redundancy	4.49	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	293	0.1M Sodium cacodylate (pH 5.9), 0.2M Sodium acetate trihydrate, 18% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K