7QUE

The STK17A (DRAK1) Kinase Domain Bound to CKJB68

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00004
Spacegroup name	P 21 21 21
Unit cell lengths	72.085, 82.776, 116.848
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.730 - 2.400
R-factor	0.2354
Rwork	0.234
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lm0
RMSD bond length	0.009
RMSD bond angle	1.016
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER (7.1.017)
Refinement software	REFMAC (7.1.017)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.300	2.420
High resolution limit [Å]	2.340	2.340
Rmerge	0.071	1.122
Number of reflections	30195	2922
<I/σ(I)>	14.5	1.5
Completeness [%]	99.8	98.3
Redundancy	7.5	7.4
CC(1/2)	0.999	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	19% PEG3350, 0.3 M ammonium formate