6BLE

Crystal Structure of the Human CAMKK2B in complex with CP673451

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 21 21 21
Unit cell lengths	48.998, 77.681, 78.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.780 - 1.900
R-factor	0.18772
Rwork	0.186
R-free	0.22652
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uyj
RMSD bond length	0.009
RMSD bond angle	1.334
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]	19.780	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.058	0.931
Rpim	0.031	0.579
Number of reflections	22633	1224
<I/σ(I)>	13.1	1.8
Completeness [%]	93.6	76.8
Redundancy	5.2	4.8
CC(1/2)	0.999	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	28% PEG 3350; 0.07 M Ammonium Acetate; 0.1M SBG buffer pH 5.5 cryo - 30% glycerol