5GJF

Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2009-12-14
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	58.070, 132.960, 141.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.440 - 2.890
R-factor	0.1994
Rwork	0.198
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eva
RMSD bond length	0.007
RMSD bond angle	1.178
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]	48.441	48.441	2.970
High resolution limit [Å]	2.890	12.920	2.890
Rmerge		0.046	1.222
Rmeas	0.153
Rpim	0.057
Total number of observations	90311
Number of reflections	12633
<I/σ(I)>	12.7	11	0.6
Completeness [%]	99.8	98	99.7
Redundancy	7.1	5.4	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	1.94M sodium potassium phosphate, 20%(v/v) Glycerol as cryoprotectant