4WK7

Crystal structure of human ADAMTS-4 in complex with inhibitor (compound 1, 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl} acetamide)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.980
Spacegroup name	P 21 21 21
Unit cell lengths	40.506, 67.923, 74.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.720 - 1.240
R-factor	0.1965
Rwork	0.196
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.121
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	13.720
High resolution limit [Å]	1.170
Number of reflections	66843
<I/σ(I)>	8.9
Completeness [%]	96.1
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 3350, Bis-Tris