2OI0

Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-16
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	56.550, 50.060, 42.980
Unit cell angles	90.00, 92.58, 90.00

Refinement procedure

Resolution	18.870 - 2.000
R-factor	0.213
Rwork	0.210
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkc
RMSD bond length	0.005
RMSD bond angle	1.000
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
High resolution limit [Å]	2.000
Number of reflections	16132

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	30% PGME 550, 0.1M BIS-TRIS, 50 mM CaCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K