6BQL

Crystal Structure of the Human CAMKK2B in complex with TAE-226

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979100
Spacegroup name	P 43 21 2
Unit cell lengths	73.738, 73.738, 123.883
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 2.000
R-factor	0.18877
Rwork	0.187
R-free	0.22531
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uyj
RMSD bond length	0.014
RMSD bond angle	1.595
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	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.093	1.002
Rmeas	0.105
Rpim	0.048	0.519
Number of reflections	22752	1687
<I/σ(I)>	12.2	2.1
Completeness [%]	96.5	98.5
Redundancy	8.4	8.6
CC(1/2)	0.997	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	24% PEG 3350; 0.14 M Ammonium Acetate; 0.1M CHC buffer pH 7.5