6CCF

Crystal Structure of the Human CAMKK1A in complex with Hesperadin

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	49.215, 83.174, 80.124
Unit cell angles	90.00, 97.27, 90.00

Refinement procedure

Resolution	19.870 - 2.100
R-factor	0.21218
Rwork	0.210
R-free	0.24384
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zv2
RMSD bond length	0.008
RMSD bond angle	1.276
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]	19.870	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.100	0.847
Rmeas	0.124	1.077
Rpim	0.073	0.656
Number of reflections	37282	3072
<I/σ(I)>	9.8	1.7
Completeness [%]	99.5	99.8
Redundancy	5.2	4.7
CC(1/2)	0.996	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	280	33% PEG2000 MME, 0.1 M potassium thiocyanate, 0.1 M CHC buffer, pH 7.5, cryoprotectant: 30% polyethylene glycol