6VRF

ADP bound TTBK2 kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	93
Detector technology	PIXEL
Collection date	2018-07-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	56.223, 114.625, 120.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.530 - 1.500
R-factor	0.1748
Rwork	0.174
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4btj
RMSD bond length	0.016
RMSD bond angle	1.350
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.540
High resolution limit [Å]	1.500	1.500
Number of reflections	122628	5774
<I/σ(I)>	7.6
Completeness [%]	99.0
Redundancy	7.1
CC(1/2)	0.990	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	300	0.1M TRIS pH 8.5, 10% glycerol and 2.0M Na/K phosphate