5YV9

Structure of CaMKK2 in complex with CKI-009

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	2012-11-16
Detector	RAYONIX MX-225
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	66.823, 78.017, 83.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.882 - 2.530
R-factor	0.17
Rwork	0.168
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zv2
RMSD bond length	0.009
RMSD bond angle	0.929
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	2.570
High resolution limit [Å]	2.530	2.530
Rmeas	0.102	1.237
Rpim	0.037	0.456
Number of reflections	15204	757
<I/σ(I)>	23.9	2
Completeness [%]	98.8	99.7
Redundancy	7.4	7.2
CC(1/2)		0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Na cocodylate pH 6.5, 0.2M Na acetate, 20% PEG 8000, 0.03M Glycyl-glycyl-glycine