3JRN

Crystal structure of TIR domain from Arabidopsis Thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	77
Detector technology	CCD
Collection date	2008-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	71.210, 71.210, 60.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.000
Rwork	0.168
R-free	0.20800
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.098
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	16867
<I/σ(I)>	23.9
Completeness [%]	87.5
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M sodium cacodylate pH 6.5, 1.0 M sodium citrate and 5% glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M sodium cacodylate pH 6.5, 1.0 M sodium citrate and 5% glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 298K