8TUC

Unphosphorylated CaMKK2 in complex with CC-8977

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	193
Detector technology	PIXEL
Collection date	2019-05-19
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.977410
Spacegroup name	P 43 21 2
Unit cell lengths	73.108, 73.108, 120.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.450 - 1.500
R-factor	0.1689
Rwork	0.167
R-free	0.20678
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.119
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.450	8.230
High resolution limit [Å]	1.500	1.500
Number of reflections	52660	407
<I/σ(I)>	21.4
Completeness [%]	99.9
Redundancy	20
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	2.0 M (NH4)2S04, 2 M NaCl, 0.1 NaCacodylate