1D4V

Crystal structure of trail-DR5 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 3 2 1
Unit cell lengths	95.520, 95.520, 69.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.221
Rwork	0.221
R-free	0.27000
RMSD bond length	0.010 *
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.200
Rmerge	0.082	0.760 *
Total number of observations	164565 *
Number of reflections	18104
<I/σ(I)>	30
Completeness [%]	96.0	80 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	25% ETHYLENE GLYCOL, 0.1% N-OCTYL-BETA-GLUCOSIDE, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 20K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop	Tris	20 (mM)
3	1	drop		50 (mM)
4	1	reservoir	ethylene glycol	25 (%)
5	1	reservoir	n-octyl-beta-glucoside	0.1 (%)