6BQP

Crystal Structure of the Human CAMKK2B in complex with Crenolanib

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 21 21 21
Unit cell lengths	49.113, 77.834, 78.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 1.950
R-factor	0.19125
Rwork	0.189
R-free	0.22666
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uyj
RMSD bond length	0.015
RMSD bond angle	1.641
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]	19.890	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.048	0.898
Rmeas	0.057
Rpim	0.030	0.553
Number of reflections	22637	1565
<I/σ(I)>	18.9	1.9
Completeness [%]	99.8	99.9
Redundancy	6.4	6.7
CC(1/2)	0.999	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	22% PEG 3350; 0.21 M Ammonium Acetate; 0.1M CHC buffer pH 7.0