6RST

TBK1 in complex with inhibitor compound 24

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.966
Spacegroup name	P 32 2 1
Unit cell lengths	136.354, 136.354, 87.195
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.630 - 3.290
R-factor	0.2491
Rwork	0.246
R-free	0.30290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.921
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.490
High resolution limit [Å]	3.290	3.290
Number of reflections	14377	2296
<I/σ(I)>	14.3
Completeness [%]	99.5
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	100 mM HEPES pH 7.5 and 5-8% PEG 8000