5GJG

Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	58.030, 133.220, 146.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.930 - 2.610
R-factor	0.1826
Rwork	0.181
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eva
RMSD bond length	0.018
RMSD bond angle	1.950
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.930	41.930	2.680
High resolution limit [Å]	2.610	11.670	2.610
Rmerge		0.028	0.873
Rmeas	0.101
Rpim	0.038
Total number of observations	126645
Number of reflections	17613
<I/σ(I)>	18.7	22.7	0.9
Completeness [%]	99.2	97.5	96.3
Redundancy	7.2	6	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	294	1.7M sodium potassium phosphate, 20%(v/v) Glycerol as cryoprotectant