6U0K

TTBK2 kinase domain in complex with Compound 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	56.230, 114.680, 118.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.460 - 1.744
R-factor	0.193
Rwork	0.191
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4btk
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.840
High resolution limit [Å]	1.740	1.740
Number of reflections	147854	23350
<I/σ(I)>	16.75
Completeness [%]	97.9	95.4
Redundancy	6.6
CC(1/2)	0.990	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	2M Sodium Potassium Phosphate and 10% Glycerol