3UB2

TIR domain of Mal/TIRAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	87.508, 87.508, 81.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.140 - 2.400
R-factor	0.248
Rwork	0.248
R-free	0.26200
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	12504
Completeness [%]	87.8	80

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	298	0.1M CHES, 12-20% Glycerol, 150-300mM sodium chloride, 10mM DTT, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K