5YVC

Structure of CaMKK2 in complex with CKI-012

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	66.332, 77.831, 84.155
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.292 - 2.020
R-factor	0.1721
Rwork	0.170
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zv2
RMSD bond length	0.008
RMSD bond angle	0.851
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	2.050
High resolution limit [Å]	2.020	2.020
Rmeas	0.083	1.077
Rpim	0.030	0.396
Number of reflections	29341	1444
<I/σ(I)>	24.9	2.1
Completeness [%]	100.0	100
Redundancy	7.4	7.3
CC(1/2)		0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1M sodium cocodylate pH 6.0, 0.2M sodium acetate, 20% PEG 8000, 0.03M xylitol