5JH6

Crystal structure of TL10-92 bound to TAK1-TAB1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	I 2 2 2
Unit cell lengths	58.303, 133.579, 145.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.643 - 2.365
R-factor	0.2265
Rwork	0.225
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yiy
RMSD bond length	0.004
RMSD bond angle	0.557
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.340	2.340
Rmerge	0.106
Number of reflections	22477
<I/σ(I)>	19.27
Completeness [%]	96.8
Redundancy	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.65-0.75 M sodium citrate, 0.2 M NaCl, 0.1 M Tris, and 5mM adenosine. Adenosine bound TAK1-TAB1 crystals are backsoaked with inhibitor