5E7R

Crystal structure of TL10-81 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	2014-10-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	I 2 2 2
Unit cell lengths	58.179, 134.093, 149.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.148 - 2.110
R-factor	0.221
Rwork	0.220
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yiy
RMSD bond length	0.007
RMSD bond angle	0.956
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.235
Rpim	0.088	0.553
Number of reflections	32105
<I/σ(I)>	6.3	1.7
Completeness [%]	96.7	98.4
Redundancy	8	6.4
CC(1/2)		0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.65-0.75 M sodium citrate pH 7.0, 0.2 M NaCl, 0.1 M Tris pH 7.0, and 5mM adenosine. Adenosine bound TAK1-TAB1 crystals are backsoaked with inhibitor