6CD6

Crystal Structure of the Human CAMKK1A in complex with GSK650394

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 1 21 1
Unit cell lengths	44.378, 96.042, 141.260
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	19.940 - 2.200
R-factor	0.2347
Rwork	0.232
R-free	0.28490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ccf
RMSD bond length	0.009
RMSD bond angle	1.245
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.940	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.076	1.152
Rmeas	0.089	1.344
Rpim	0.046	0.690
Number of reflections	59443	4575
<I/σ(I)>	12.1	1.5
Completeness [%]	98.8	98.3
Redundancy	7.1	7.4
CC(1/2)	0.999	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	280	33.75% PEG2000 MME, 0.15 M potassium thiocyanate, 0.1 M CHC buffer, pH 7.0, cryoprotectant: 30% polyethylene glycol