6BDN

Crystal structure of human TAO3 kinase binding ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12708
Spacegroup name	P 21 21 21
Unit cell lengths	55.187, 59.897, 110.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.100 - 1.500
R-factor	0.187
Rwork	0.186
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u5r
RMSD bond length	0.024
RMSD bond angle	2.383
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.100	38.100	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.037	0.029	0.617
Rmeas	0.042	0.034	0.701
Rpim	0.020	0.017	0.327
Number of reflections	59157	423	2889
<I/σ(I)>	17.1
Completeness [%]	99.8	98.5	99.8
Redundancy	4.4	3.8	4.4
CC(1/2)	0.999	0.996	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		279.15	Drops: 1.8 uL protein + 1.0 uL well solution, protein solution: 6.5 mg/mL TAO3K in 0.7 mM ADP, 5 mM magnesium chloride, 100 mM sodium chloride, 25 mM Tris, pH 8.0, 2 mM BME, 0.3 mM EDTA, well solution: 20% PEG3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris, pH 6.5, cryoprotectant: 20% PEG1500