5YVA

Structure of CaMKK2 in complex with CKI-010

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	67.091, 77.117, 84.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.558 - 2.574
R-factor	0.1633
Rwork	0.161
R-free	0.22040
RMSD bond length	0.009
RMSD bond angle	0.965
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	2.610
High resolution limit [Å]	2.570	2.570
Rmeas	0.140	1.882
Rpim	0.052	0.689
Number of reflections	14418	698
<I/σ(I)>	15.1	2
Completeness [%]	100.0	100
Redundancy	7.2	7.3
CC(1/2)		0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M sodium cocodylate pH 6.5, 0.2M sodium acetate, 20% PEG 8000