5YV8

Structure of CaMKK2 in complex with CKI-002

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-12
Detector	RAYONIX MX-225
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	66.493, 76.969, 83.895
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.220 - 1.927
R-factor	0.1661
Rwork	0.164
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zv2
RMSD bond length	0.008
RMSD bond angle	0.841
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.930	1.930
Rmeas	0.097	1.082
Rpim	0.035	0.398
Number of reflections	33185	1621
<I/σ(I)>	22.2	2
Completeness [%]	100.0	100
Redundancy	7.4	7.3
CC(1/2)		0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M sodium cacodylate (pH 6.0), 0.2M Sodium acetate, 22% PEG 8000, 0.03M glycyl-glycyl-glycine