6BQQ

Crystal Structure of the Human CAMKK2B in complex with BI2526

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 PILATUS3 6M
Wavelength(s)	0.979100
Spacegroup name	P 43 21 2
Unit cell lengths	73.532, 73.532, 119.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.880 - 1.800
R-factor	0.19245
Rwork	0.191
R-free	0.22768
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uyj
RMSD bond length	0.011
RMSD bond angle	1.431
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]	19.880	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.096	1.150
Rmeas	0.103
Rpim	0.039	0.482
Number of reflections	31086	1798
<I/σ(I)>	15.4	2.2
Completeness [%]	99.9	100
Redundancy	12.9	12.8
CC(1/2)	0.998	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	22% PEG 3350; 0.21 M Ammonium Sulphate; 0.1M CHC buffer pH 7.5