5J8I

Crystal structure of TL11-113 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	2015-10-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97932
Spacegroup name	I 2 2 2
Unit cell lengths	58.248, 133.343, 145.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.081 - 2.404
R-factor	0.2237
Rwork	0.223
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yiy
RMSD bond length	0.003
RMSD bond angle	0.606
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.470
High resolution limit [Å]	2.430	2.430
Rmerge	0.124	1.571
Number of reflections	21238
<I/σ(I)>	18.94	1.16
Completeness [%]	96.3	80.1
Redundancy	8.3	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.75M NaCitrate, 0.1M Tris-HCL, 0.2M NaCl, pH 7.0, 5mM Adenosine;