1ZXC

Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor

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	2000-05-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	48.120, 59.170, 195.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.280
R-factor	0.21584
Rwork	0.210
R-free	0.28506
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkc
RMSD bond length	0.011
RMSD bond angle	1.392
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	2.200	2.200
Number of reflections	25216
Completeness [%]	86.8	86.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	292	PEG 4000, isopropanol, NaCitrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K