6BKU

Crystal Structure of the Human CAMKK2B bound to GSK650394

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.968610
Spacegroup name	P 43 21 2
Unit cell lengths	72.971, 72.971, 119.301
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 2.000
R-factor	0.19483
Rwork	0.193
R-free	0.23658
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uyj
RMSD bond length	0.009
RMSD bond angle	1.309
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.970	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.096	1.724
Rpim	0.033	0.579
Number of reflections	20267	1601
<I/σ(I)>	12.5	1.4
Completeness [%]	89.9	99.6
Redundancy	10.3	10.4
CC(1/2)	0.999	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	20% PEG smear medium, 0.2M sodium formate, 0.1M sodium-potassium phosphate, 10% glycerol